 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer04_wB97XD-def2SVPDr.in
 Output=30_ibuprofen_conformer04_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/30_ibuprofen/Gau-260059.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/30_ibuprofen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    260060.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer04_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 09:40:13 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer04_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.634600000000     -0.289354000000     -1.230513000000
  C                                                 1.477234000000     -0.735999000000     -0.213732000000
  C                                                -0.739449000000     -0.216152000000     -1.047711000000
  C                                                -1.314029000000     -0.589385000000      0.165609000000
  C                                                -0.477653000000     -1.033716000000      1.186048000000
  C                                                 0.895358000000     -1.109311000000      0.997103000000
  C                                                 2.970726000000     -0.778602000000     -0.392123000000
  C                                                 3.716610000000      0.371103000000      0.313667000000
  C                                                 3.299110000000      1.735765000000     -0.230808000000
  C                                                 5.226988000000      0.171727000000      0.198605000000
  C                                                -2.819930000000     -0.538917000000      0.366414000000
  C                                                -3.298609000000      0.879642000000      0.123443000000
  O                                                -3.719796000000      1.311520000000     -0.918273000000
  O                                                -3.170806000000      1.648102000000      1.229132000000
  H                                                 1.061897000000      0.009379000000     -2.180173000000
  H                                                -1.369308000000      0.143045000000     -1.851768000000
  H                                                -0.905706000000     -1.326876000000      2.137119000000
  H                                                 1.525155000000     -1.464620000000      1.804458000000
  H                                                 3.213870000000     -0.750950000000     -1.458443000000
  H                                                 3.354890000000     -1.727657000000     -0.007445000000
  H                                                 3.446407000000      0.332999000000      1.374915000000
  H                                                 2.227360000000      1.901968000000     -0.119193000000
  H                                                 3.541664000000      1.816780000000     -1.294470000000
  H                                                 3.822320000000      2.539192000000      0.291263000000
  H                                                 5.541448000000      0.194608000000     -0.848580000000
  H                                                 5.535582000000     -0.788131000000      0.618372000000
  H                                                 5.769492000000      0.959785000000      0.724559000000
  H                                                -3.021671000000     -0.770261000000      1.413061000000
  C                                                -3.561205000000     -1.527762000000     -0.535197000000
  H                                                -3.444471000000      2.545855000000      0.983186000000
  H                                                -4.634564000000     -1.503266000000     -0.342117000000
  H                                                -3.194719000000     -2.537711000000     -0.351766000000
  H                                                -3.403343000000     -1.285337000000     -1.584678000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 09:40:13 2021, MaxMem=  6442450944 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.634600   -0.289354   -1.230513
      2          6           0        1.477234   -0.735999   -0.213732
      3          6           0       -0.739449   -0.216152   -1.047711
      4          6           0       -1.314029   -0.589385    0.165609
      5          6           0       -0.477653   -1.033716    1.186048
      6          6           0        0.895358   -1.109311    0.997103
      7          6           0        2.970726   -0.778602   -0.392123
      8          6           0        3.716610    0.371103    0.313667
      9          6           0        3.299110    1.735765   -0.230808
     10          6           0        5.226988    0.171727    0.198605
     11          6           0       -2.819930   -0.538917    0.366414
     12          6           0       -3.298609    0.879642    0.123443
     13          8           0       -3.719796    1.311520   -0.918273
     14          8           0       -3.170806    1.648102    1.229132
     15          1           0        1.061897    0.009379   -2.180173
     16          1           0       -1.369308    0.143045   -1.851768
     17          1           0       -0.905706   -1.326876    2.137119
     18          1           0        1.525155   -1.464620    1.804458
     19          1           0        3.213870   -0.750950   -1.458443
     20          1           0        3.354890   -1.727657   -0.007445
     21          1           0        3.446407    0.332999    1.374915
     22          1           0        2.227360    1.901968   -0.119193
     23          1           0        3.541664    1.816780   -1.294470
     24          1           0        3.822320    2.539192    0.291263
     25          1           0        5.541448    0.194608   -0.848580
     26          1           0        5.535582   -0.788131    0.618372
     27          1           0        5.769492    0.959785    0.724559
     28          1           0       -3.021671   -0.770261    1.413061
     29          6           0       -3.561205   -1.527762   -0.535197
     30          1           0       -3.444471    2.545855    0.983186
     31          1           0       -4.634564   -1.503266   -0.342117
     32          1           0       -3.194719   -2.537711   -0.351766
     33          1           0       -3.403343   -1.285337   -1.584678
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.394047   0.000000
     3  C    1.388087   2.424757   0.000000
     4  C    2.415850   2.820735   1.393410   0.000000
     5  C    2.762417   2.422726   2.393037   1.392211   0.000000
     6  C    2.388011   1.394297   2.766151   2.417250   1.388011
     7  C    2.529772   1.504712   3.809402   4.325043   3.800924
     8  C    3.509912   2.553161   4.696241   5.123650   4.508482
     9  C    3.492869   3.070691   4.559306   5.181170   4.893000
    10  C    4.831667   3.880031   6.107546   6.585232   5.913634
    11  C    3.813953   4.340625   2.536203   1.520068   2.530393
    12  C    4.320866   5.052985   3.020210   2.469489   3.570415
    13  O    4.649845   5.630083   3.351567   3.252069   4.521039
    14  O    4.927951   5.419416   3.817192   3.095973   3.800931
    15  H    1.083364   2.143591   2.139669   3.392084   3.845739
    16  H    2.142096   3.399806   1.082706   2.146933   3.377594
    17  H    3.845769   3.399123   3.377054   2.144172   1.083378
    18  H    3.374224   2.146224   3.849931   3.393056   2.139941
    19  H    2.630144   2.136688   4.010417   4.813057   4.549795
    20  H    3.311282   2.133432   4.486693   4.808785   4.073618
    21  H    3.883534   2.746670   4.867450   4.997496   4.159547
    22  H    2.928107   2.744175   3.761720   4.339284   4.199880
    23  H    3.590392   3.456378   4.745696   5.612416   5.516630
    24  H    4.525266   4.059720   5.494953   6.015469   5.661809
    25  H    4.945427   4.217451   6.297463   6.974295   6.471327
    26  H    5.261823   4.143103   6.517592   6.867435   6.044962
    27  H    5.634693   4.709517   6.847633   7.272456   6.573723
    28  H    4.537408   4.784117   3.401613   2.122474   2.567678
    29  C    4.429661   5.110391   3.153617   2.534064   3.565818
    30  H    5.438538   6.035425   4.366963   3.877750   4.653653
    31  H    5.479682   6.161108   4.162505   3.481223   4.453726
    32  H    4.526697   5.009228   3.449975   2.756927   3.465447
    33  H    4.174015   5.099147   2.920243   2.813021   4.037313
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.519220   0.000000
     8  C    3.258554   1.541527   0.000000
     9  C    3.921766   2.540846   1.527436   0.000000
    10  C    4.587121   2.518492   1.527819   2.519390   0.000000
    11  C    3.811362   5.845043   6.599793   6.555418   8.079979
    12  C    4.723195   6.505393   7.036199   6.662457   8.555267
    13  O    5.552363   7.029120   7.596196   7.065241   9.087986
    14  O    4.918420   6.799689   7.064368   6.633168   8.588633
    15  H    3.372578   2.731605   3.660271   3.433010   4.799263
    16  H    3.848789   4.670749   5.532421   5.192147   6.907675
    17  H    2.142616   4.660944   5.251087   5.715534   6.604058
    18  H    1.083841   2.717584   3.224099   4.187086   4.354304
    19  H    3.396119   1.094039   2.156878   2.774546   2.765824
    20  H    2.727777   1.093739   2.153775   3.471065   2.674858
    21  H    2.954801   2.141110   1.095769   2.137240   2.140136
    22  H    3.476801   2.795092   2.179170   1.090289   3.477427
    23  H    4.562483   2.806458   2.169491   1.093971   2.788510
    24  H    4.730422   3.492848   2.170780   1.091697   2.754373
    25  H    5.166517   2.786414   2.170715   2.790141   1.093620
    26  H    4.666720   2.756751   2.178377   3.477494   1.092136
    27  H    5.302134   3.478801   2.174788   2.760011   1.091775
    28  H    3.953618   6.258401   6.922125   6.995337   8.390627
    29  C    4.731173   6.576308   7.569204   7.603104   8.981039
    30  H    5.674024   7.355151   7.513913   6.899704   9.024758
    31  H    5.703398   7.639900   8.584021   8.570116  10.017394
    32  H    4.537456   6.411615   7.527979   7.774770   8.863922
    33  H    5.017510   6.504439   7.552565   7.475486   8.932287
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516733   0.000000
    13  O    2.425757   1.203781   0.000000
    14  O    2.377067   1.352558   2.241880   0.000000
    15  H    4.674860   5.007796   5.113956   5.676667   0.000000
    16  H    2.736733   2.857663   2.785954   3.873311   2.456924
    17  H    2.724065   3.827479   4.920941   3.847806   4.929102
    18  H    4.669546   5.620505   6.529145   5.663222   4.273706
    19  H    6.307282   6.897360   7.254053   7.330934   2.393738
    20  H    6.299308   7.147320   7.753540   7.450475   3.604977
    21  H    6.406582   6.881878   7.587535   6.748204   4.292932
    22  H    5.627510   5.624976   6.029579   5.569796   3.031144
    23  H    6.984105   7.048265   7.288732   7.173163   3.193808
    24  H    7.321194   7.313679   7.736515   7.111783   4.486411
    25  H    8.480973   8.919681   9.328611   9.073748   4.676946
    26  H    8.363024   9.003852   9.614148   9.061427   5.336828
    27  H    8.726543   9.088356   9.636867   8.980941   5.612681
    28  H    1.090729   2.112342   3.202547   2.429928   5.494970
    29  C    1.529773   2.509653   2.869394   3.653954   5.142161
    30  H    3.207223   1.880611   2.283623   0.970228   6.062005
    31  H    2.173679   2.771240   3.015257   3.813467   6.173833
    32  H    2.156717   3.451799   3.925967   4.474465   5.286731
    33  H    2.168934   2.759670   2.699612   4.071445   4.687139
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276308   0.000000
    18  H    4.932595   2.457381   0.000000
    19  H    4.686091   5.498242   3.742674   0.000000
    20  H    5.405469   4.786696   2.588457   1.754776   0.000000
    21  H    5.799886   4.719855   2.665924   3.042521   2.483062
    22  H    4.362528   5.033138   3.940487   3.131256   3.802366
    23  H    5.218200   6.437195   4.943405   2.593757   3.775494
    24  H    6.106317   6.380274   4.857699   3.775807   4.302757
    25  H    6.983380   7.266024   5.091391   2.585272   3.030453
    26  H    7.392306   6.639806   4.236504   3.115267   2.455560
    27  H    7.633282   7.196000   5.005828   3.771381   3.686255
    28  H    3.771411   2.304645   4.616162   6.864975   6.602649
    29  C    3.054401   3.772705   5.599020   6.881676   6.939081
    30  H    4.256379   4.772309   6.438601   7.820740   8.091697
    31  H    3.956170   4.481306   6.523145   7.963045   7.999608
    32  H    3.573316   3.591692   5.298871   6.744424   6.608489
    33  H    2.499782   4.482375   5.984019   6.639956   6.953921
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.485980   0.000000
    23  H    3.055535   1.765199   0.000000
    24  H    2.486544   1.765907   1.764992   0.000000
    25  H    3.058150   3.798719   2.613311   3.122774   0.000000
    26  H    2.488763   4.327236   3.797398   3.756773   1.765718
    27  H    2.492498   3.761160   3.126361   2.544357   1.764162
    28  H    6.561606   6.086127   7.556512   7.684473   8.909153
    29  C    7.497839   6.741186   7.887535   8.469923   9.269469
    30  H    7.248061   5.813733   7.384128   7.299661   9.467337
    31  H    8.462988   7.663636   8.875832   9.394760  10.329109
    32  H    7.438209   7.011689   8.076456   8.684887   9.166952
    33  H    7.635265   6.634107   7.611864   8.387871   9.096228
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766692   0.000000
    28  H    8.594093   8.986192   0.000000
    29  C    9.199419   9.738418   2.158846   0.000000
    30  H    9.585922   9.353054   3.370486   4.348962   0.000000
    31  H   10.240402  10.744710   2.493866   1.090862   4.423588
    32  H    8.956582   9.682357   2.503685   1.089934   5.261855
    33  H    9.219817   9.721834   3.065520   1.088623   4.612337
                   31         32         33
    31  H    0.000000
    32  H    1.772942   0.000000
    33  H    1.762769   1.769756   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.634600   -0.289354   -1.230513
      2          6           0        1.477234   -0.735999   -0.213732
      3          6           0       -0.739449   -0.216152   -1.047711
      4          6           0       -1.314029   -0.589385    0.165609
      5          6           0       -0.477653   -1.033716    1.186048
      6          6           0        0.895358   -1.109311    0.997103
      7          6           0        2.970726   -0.778602   -0.392123
      8          6           0        3.716610    0.371103    0.313667
      9          6           0        3.299110    1.735765   -0.230808
     10          6           0        5.226988    0.171727    0.198605
     11          6           0       -2.819930   -0.538917    0.366414
     12          6           0       -3.298609    0.879642    0.123443
     13          8           0       -3.719796    1.311520   -0.918273
     14          8           0       -3.170806    1.648102    1.229132
     15          1           0        1.061897    0.009379   -2.180173
     16          1           0       -1.369308    0.143045   -1.851768
     17          1           0       -0.905706   -1.326876    2.137119
     18          1           0        1.525155   -1.464620    1.804458
     19          1           0        3.213870   -0.750950   -1.458443
     20          1           0        3.354890   -1.727657   -0.007445
     21          1           0        3.446407    0.332999    1.374915
     22          1           0        2.227360    1.901968   -0.119193
     23          1           0        3.541664    1.816780   -1.294470
     24          1           0        3.822320    2.539192    0.291263
     25          1           0        5.541448    0.194608   -0.848580
     26          1           0        5.535582   -0.788131    0.618372
     27          1           0        5.769492    0.959785    0.724559
     28          1           0       -3.021671   -0.770261    1.413061
     29          6           0       -3.561205   -1.527762   -0.535197
     30          1           0       -3.444471    2.545855    0.983186
     31          1           0       -4.634564   -1.503266   -0.342117
     32          1           0       -3.194719   -2.537711   -0.351766
     33          1           0       -3.403343   -1.285337   -1.584678
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3505362           0.2618989           0.2490697
 Leave Link  202 at Mon Sep 27 09:40:13 2021, MaxMem=  6442450944 cpu:               0.0 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   480 symmetry adapted cartesian basis functions of A   symmetry.
 There are   450 symmetry adapted basis functions of A   symmetry.
   450 basis functions,   666 primitive gaussians,   480 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       973.0890188818 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0239784069 Hartrees.
 Nuclear repulsion after empirical dispersion term =      973.0650404749 Hartrees.
 Leave Link  301 at Mon Sep 27 09:40:14 2021, MaxMem=  6442450944 cpu:               4.4 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   450 RedAO= T EigKep=  4.04D-06  NBF=   450
 NBsUse=   450 1.00D-06 EigRej= -1.00D+00 NBFU=   450
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   478   478   478   478   478 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Mon Sep 27 09:40:15 2021, MaxMem=  6442450944 cpu:               4.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 09:40:15 2021, MaxMem=  6442450944 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer04_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 09:40:16 2021, MaxMem=  6442450944 cpu:               4.8 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441981585 LenY=  6441750705
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.060816056218    
 DIIS: error= 4.31D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.060816056218     IErMin= 1 ErrMin= 4.31D-03
 ErrMax= 4.31D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.59D-02 BMatP= 1.59D-02
 IDIUse=3 WtCom= 9.57D-01 WtEn= 4.31D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.365 Goal=   None    Shift=    0.000
 GapD=    0.365 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.30D-03 MaxDP=4.11D-01              OVMax= 1.30D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.83D-03    CP:  1.08D+00
 E= -656.073628140183     Delta-E=       -0.012812083965 Rises=F Damp=F
 DIIS: error= 6.65D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.073628140183     IErMin= 2 ErrMin= 6.65D-04
 ErrMax= 6.65D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.39D-04 BMatP= 1.59D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.65D-03
 Coeff-Com: -0.201D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.200D-01 0.102D+01
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.40D-03 MaxDP=6.08D-02 DE=-1.28D-02 OVMax= 6.62D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.82D-04    CP:  1.11D+00  1.09D+00
 E= -656.074062234423     Delta-E=       -0.000434094240 Rises=F Damp=F
 DIIS: error= 5.47D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -656.074062234423     IErMin= 3 ErrMin= 5.47D-04
 ErrMax= 5.47D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.05D-04 BMatP= 4.39D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.47D-03
 Coeff-Com: -0.439D-01 0.466D+00 0.578D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.437D-01 0.463D+00 0.580D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=1.19D-04 MaxDP=4.54D-03 DE=-4.34D-04 OVMax= 2.52D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.61D-05    CP:  1.11D+00  1.10D+00  1.02D+00
 E= -656.074276998069     Delta-E=       -0.000214763646 Rises=F Damp=F
 DIIS: error= 9.30D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.074276998069     IErMin= 4 ErrMin= 9.30D-05
 ErrMax= 9.30D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.38D-06 BMatP= 3.05D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.117D-01 0.610D-01 0.149D+00 0.802D+00
 Coeff:     -0.117D-01 0.610D-01 0.149D+00 0.802D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=4.22D-05 MaxDP=2.19D-03 DE=-2.15D-04 OVMax= 7.34D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.10D-05    CP:  1.11D+00  1.10D+00  1.05D+00  1.18D+00
 E= -656.074285106820     Delta-E=       -0.000008108751 Rises=F Damp=F
 DIIS: error= 5.25D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.074285106820     IErMin= 5 ErrMin= 5.25D-05
 ErrMax= 5.25D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.00D-06 BMatP= 9.38D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.124D-02-0.349D-01-0.285D-01 0.311D+00 0.751D+00
 Coeff:      0.124D-02-0.349D-01-0.285D-01 0.311D+00 0.751D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=2.04D-05 MaxDP=8.55D-04 DE=-8.11D-06 OVMax= 2.89D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.26D-05    CP:  1.11D+00  1.10D+00  1.07D+00  1.17D+00  9.84D-01
 E= -656.074287052587     Delta-E=       -0.000001945767 Rises=F Damp=F
 DIIS: error= 9.78D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.074287052587     IErMin= 6 ErrMin= 9.78D-06
 ErrMax= 9.78D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.80D-08 BMatP= 2.00D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.909D-03-0.150D-01-0.162D-01 0.776D-01 0.268D+00 0.684D+00
 Coeff:      0.909D-03-0.150D-01-0.162D-01 0.776D-01 0.268D+00 0.684D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=4.91D-06 MaxDP=2.30D-04 DE=-1.95D-06 OVMax= 9.13D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.43D-06    CP:  1.11D+00  1.10D+00  1.07D+00  1.18D+00  1.02D+00
                    CP:  9.73D-01
 E= -656.074287136464     Delta-E=       -0.000000083877 Rises=F Damp=F
 DIIS: error= 4.16D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.074287136464     IErMin= 7 ErrMin= 4.16D-06
 ErrMax= 4.16D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.36D-08 BMatP= 9.80D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.290D-03-0.294D-02-0.432D-02-0.279D-02 0.354D-01 0.337D+00
 Coeff-Com:  0.637D+00
 Coeff:      0.290D-03-0.294D-02-0.432D-02-0.279D-02 0.354D-01 0.337D+00
 Coeff:      0.637D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=1.87D-06 MaxDP=1.08D-04 DE=-8.39D-08 OVMax= 6.91D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.18D-06    CP:  1.11D+00  1.10D+00  1.07D+00  1.18D+00  1.03D+00
                    CP:  1.02D+00  1.05D+00
 E= -656.074287159634     Delta-E=       -0.000000023170 Rises=F Damp=F
 DIIS: error= 1.58D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.074287159634     IErMin= 8 ErrMin= 1.58D-06
 ErrMax= 1.58D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.36D-09 BMatP= 2.36D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.381D-04 0.135D-02 0.115D-02-0.129D-01-0.293D-01-0.808D-02
 Coeff-Com:  0.231D+00 0.817D+00
 Coeff:     -0.381D-04 0.135D-02 0.115D-02-0.129D-01-0.293D-01-0.808D-02
 Coeff:      0.231D+00 0.817D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=1.04D-06 MaxDP=3.95D-05 DE=-2.32D-08 OVMax= 2.20D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.27D-07    CP:  1.11D+00  1.10D+00  1.07D+00  1.17D+00  1.03D+00
                    CP:  1.05D+00  1.10D+00  1.04D+00
 E= -656.074287162268     Delta-E=       -0.000000002634 Rises=F Damp=F
 DIIS: error= 3.81D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.074287162268     IErMin= 9 ErrMin= 3.81D-07
 ErrMax= 3.81D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.21D-10 BMatP= 2.36D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.492D-04 0.940D-03 0.982D-03-0.582D-02-0.172D-01-0.415D-01
 Coeff-Com:  0.463D-01 0.364D+00 0.652D+00
 Coeff:     -0.492D-04 0.940D-03 0.982D-03-0.582D-02-0.172D-01-0.415D-01
 Coeff:      0.463D-01 0.364D+00 0.652D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=2.15D-07 MaxDP=9.03D-06 DE=-2.63D-09 OVMax= 8.04D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.40D-07    CP:  1.11D+00  1.10D+00  1.07D+00  1.17D+00  1.03D+00
                    CP:  1.05D+00  1.14D+00  1.01D+00  1.05D+00
 E= -656.074287162762     Delta-E=       -0.000000000495 Rises=F Damp=F
 DIIS: error= 1.20D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.074287162762     IErMin=10 ErrMin= 1.20D-07
 ErrMax= 1.20D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.73D-11 BMatP= 3.21D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.114D-04 0.140D-03 0.162D-03-0.332D-03-0.183D-02-0.127D-01
 Coeff-Com: -0.104D-01 0.528D-02 0.208D+00 0.812D+00
 Coeff:     -0.114D-04 0.140D-03 0.162D-03-0.332D-03-0.183D-02-0.127D-01
 Coeff:     -0.104D-01 0.528D-02 0.208D+00 0.812D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=7.57D-08 MaxDP=2.76D-06 DE=-4.95D-10 OVMax= 2.57D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.68D-08    CP:  1.11D+00  1.10D+00  1.07D+00  1.17D+00  1.03D+00
                    CP:  1.05D+00  1.14D+00  1.03D+00  1.10D+00  1.03D+00
 E= -656.074287162746     Delta-E=        0.000000000016 Rises=F Damp=F
 DIIS: error= 4.43D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -656.074287162762     IErMin=11 ErrMin= 4.43D-08
 ErrMax= 4.43D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.95D-12 BMatP= 2.73D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.256D-05-0.796D-04-0.798D-04 0.704D-03 0.179D-02 0.922D-03
 Coeff-Com: -0.899D-02-0.517D-01-0.852D-02 0.304D+00 0.762D+00
 Coeff:      0.256D-05-0.796D-04-0.798D-04 0.704D-03 0.179D-02 0.922D-03
 Coeff:     -0.899D-02-0.517D-01-0.852D-02 0.304D+00 0.762D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=2.95D-08 MaxDP=1.72D-06 DE= 1.64D-11 OVMax= 9.88D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.99D-08    CP:  1.11D+00  1.10D+00  1.07D+00  1.17D+00  1.03D+00
                    CP:  1.05D+00  1.15D+00  1.03D+00  1.13D+00  1.05D+00
                    CP:  9.50D-01
 E= -656.074287162685     Delta-E=        0.000000000061 Rises=F Damp=F
 DIIS: error= 1.53D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -656.074287162762     IErMin=12 ErrMin= 1.53D-08
 ErrMax= 1.53D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.07D-13 BMatP= 3.95D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.206D-05-0.418D-04-0.437D-04 0.272D-03 0.799D-03 0.170D-02
 Coeff-Com: -0.127D-02-0.180D-01-0.251D-01 0.422D-02 0.249D+00 0.788D+00
 Coeff:      0.206D-05-0.418D-04-0.437D-04 0.272D-03 0.799D-03 0.170D-02
 Coeff:     -0.127D-02-0.180D-01-0.251D-01 0.422D-02 0.249D+00 0.788D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=1.08D-08 MaxDP=3.76D-07 DE= 6.09D-11 OVMax= 3.95D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  8.52D-09    CP:  1.11D+00  1.10D+00  1.07D+00  1.17D+00  1.03D+00
                    CP:  1.05D+00  1.14D+00  1.03D+00  1.13D+00  1.06D+00
                    CP:  1.01D+00  1.05D+00
 E= -656.074287162777     Delta-E=       -0.000000000092 Rises=F Damp=F
 DIIS: error= 5.75D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -656.074287162777     IErMin=13 ErrMin= 5.75D-09
 ErrMax= 5.75D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.75D-14 BMatP= 4.07D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.161D-06 0.737D-06 0.850D-06-0.309D-04-0.551D-04 0.207D-03
 Coeff-Com:  0.966D-03 0.267D-02-0.374D-02-0.391D-01-0.485D-01 0.158D+00
 Coeff-Com:  0.929D+00
 Coeff:      0.161D-06 0.737D-06 0.850D-06-0.309D-04-0.551D-04 0.207D-03
 Coeff:      0.966D-03 0.267D-02-0.374D-02-0.391D-01-0.485D-01 0.158D+00
 Coeff:      0.929D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=4.03D-09 MaxDP=1.61D-07 DE=-9.19D-11 OVMax= 2.15D-07

 SCF Done:  E(RwB97XD) =  -656.074287163     A.U. after   13 cycles
            NFock= 13  Conv=0.40D-08     -V/T= 2.0113
 KE= 6.487243189270D+02 PE=-3.468543370735D+03 EE= 1.190679724170D+03
 Leave Link  502 at Mon Sep 27 09:44:41 2021, MaxMem=  6442450944 cpu:            2116.0 elap:             265.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   450
 NBasis=   450 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    450 NOA=    56 NOB=    56 NVA=   394 NVB=   394

 **** Warning!!: The largest alpha MO coefficient is  0.60486661D+02

 Leave Link  801 at Mon Sep 27 09:44:41 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10066 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.68D-13 8.33D-09 XBig12= 1.00D+00 4.37D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.68D-13 8.33D-09 XBig12= 2.01D-01 8.64D-02.
     11 vectors produced by pass  2 Test12= 3.68D-13 8.33D-09 XBig12= 4.66D-02 1.01D-01.
     11 vectors produced by pass  3 Test12= 3.68D-13 8.33D-09 XBig12= 5.48D-03 2.48D-02.
     11 vectors produced by pass  4 Test12= 3.68D-13 8.33D-09 XBig12= 9.00D-04 8.80D-03.
     11 vectors produced by pass  5 Test12= 3.68D-13 8.33D-09 XBig12= 9.00D-05 1.66D-03.
     11 vectors produced by pass  6 Test12= 3.68D-13 8.33D-09 XBig12= 5.42D-06 3.93D-04.
     11 vectors produced by pass  7 Test12= 3.68D-13 8.33D-09 XBig12= 2.92D-07 5.43D-05.
     11 vectors produced by pass  8 Test12= 3.68D-13 8.33D-09 XBig12= 8.33D-09 1.02D-05.
     11 vectors produced by pass  9 Test12= 3.68D-13 8.33D-09 XBig12= 2.67D-10 1.61D-06.
     11 vectors produced by pass 10 Test12= 3.68D-13 8.33D-09 XBig12= 9.15D-12 2.61D-07.
      8 vectors produced by pass 11 Test12= 3.68D-13 8.33D-09 XBig12= 2.64D-13 4.34D-08.
      3 vectors produced by pass 12 Test12= 3.68D-13 8.33D-09 XBig12= 3.55D-14 1.08D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 7.11D-14
 Solved reduced A of dimension   132 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.216620D+03
      2 -0.175630D+01  0.135948D+03
      3  0.200050D+01 -0.757722D+01  0.147268D+03
 Isotropic polarizability for W=    0.088559      166.61 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.240274D+03  0.379325D+02 -0.222225D+02
      2  -0.128559D+03 -0.222713D+02  0.405926D+02
      3  -0.111715D+03 -0.156613D+02 -0.183701D+02
      4  -0.404212D+02  0.728699D+02 -0.134383D+02
      5  -0.252910D+02 -0.190960D+02  0.705545D+02
      6   0.506001D+00  0.212670D+02 -0.346491D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.790605D+01 -0.729883D+01  0.229045D+02
      2  -0.527490D+00 -0.597066D+01  0.339558D+02
      3  -0.985596D+02 -0.404746D+02  0.113812D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.565771D+01 -0.193256D+02  0.189879D+02
      2   0.306841D+01 -0.139443D+02  0.182270D+03
      3  -0.783537D+02 -0.201429D+03  0.196020D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.129082D+01 -0.755656D-01  0.114931D+02
      2  -0.755656D-01 -0.174853D+01 -0.765205D+00
      3   0.114931D+02 -0.765205D+00 -0.203785D+01
 OR G Eigenvalues:   -12.0138    -1.7452    11.2634  Iso=     0.8319
 Eigenvectors:
   (1)  -0.652673   0.051542   0.755885
   (2)   0.066152   0.997750  -0.010915
   (3)   0.754747  -0.042880   0.654614
 w=    0.088559 a.u., Optical Rotation Beta=      0.8319 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      204.48 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  101475 ScalPx= 4.47D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.19D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D+00 3.42D-01.
     30 vectors produced by pass  1 Test12= 6.13D-14 2.78D-09 XBig12= 5.66D-02 5.16D-02.
     30 vectors produced by pass  2 Test12= 6.13D-14 2.78D-09 XBig12= 2.97D-03 9.65D-03.
     30 vectors produced by pass  3 Test12= 6.13D-14 2.78D-09 XBig12= 8.36D-05 1.38D-03.
     30 vectors produced by pass  4 Test12= 6.13D-14 2.78D-09 XBig12= 1.95D-06 1.80D-04.
     30 vectors produced by pass  5 Test12= 6.13D-14 2.78D-09 XBig12= 3.84D-08 2.84D-05.
     30 vectors produced by pass  6 Test12= 6.13D-14 2.78D-09 XBig12= 4.46D-10 2.26D-06.
     30 vectors produced by pass  7 Test12= 6.13D-14 2.78D-09 XBig12= 4.29D-12 2.16D-07.
     29 vectors produced by pass  8 Test12= 6.13D-14 2.78D-09 XBig12= 4.45D-14 2.03D-08.
      6 vectors produced by pass  9 Test12= 6.13D-14 2.78D-09 XBig12= 6.78D-15 7.00D-09.
      4 vectors produced by pass 10 Test12= 6.13D-14 2.78D-09 XBig12= 1.34D-14 1.14D-08.
      3 vectors produced by pass 11 Test12= 6.13D-14 2.78D-09 XBig12= 3.32D-14 1.34D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   282 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.65D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.65D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.41D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.216620D+03 -0.175630D+01  0.200050D+01
      2  -0.175630D+01  0.135948D+03 -0.757722D+01
      3   0.200050D+01 -0.757722D+01  0.147268D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.790605D+01 -0.729883D+01  0.229045D+02
      2  -0.527490D+00 -0.597066D+01  0.339558D+02
      3  -0.985596D+02 -0.404746D+02  0.113812D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.240274D+03  0.379325D+02 -0.222225D+02
      2  -0.128559D+03 -0.222713D+02  0.405926D+02
      3  -0.111715D+03 -0.156613D+02 -0.183701D+02
      4  -0.404212D+02  0.728699D+02 -0.134383D+02
      5  -0.252910D+02 -0.190960D+02  0.705545D+02
      6   0.506001D+00  0.212670D+02 -0.346491D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.119108D+02 -0.140152D+00  0.764383D+00  0.574981D+01  0.203688D+01
      2  -0.140152D+00  0.999820D+00 -0.265193D-01  0.203688D+01  0.195920D+01
      3   0.764383D+00 -0.265193D-01  0.108315D+01 -0.205440D+00 -0.278135D+01
                 6             7             8             9            10 
      1  -0.205440D+00 -0.990117D+01  0.247735D+00 -0.168652D+00  0.299589D+02
      2  -0.278135D+01  0.247735D+00 -0.111606D+01 -0.102415D+01  0.150020D+01
      3  -0.221368D+01 -0.168652D+00 -0.102415D+01 -0.202584D+01 -0.107946D+01
                11            12            13            14            15 
      1   0.150020D+01 -0.107946D+01 -0.649288D+00  0.448689D+01  0.133010D+01
      2   0.182166D+01 -0.694348D+00  0.448689D+01 -0.839884D+00 -0.203056D+00
      3  -0.694348D+00  0.276961D+01  0.133010D+01 -0.203056D+00 -0.782552D+00
                16            17            18            19            20 
      1  -0.378554D+01  0.156316D+01  0.996628D+00  0.872998D+01 -0.267653D-01
      2   0.156316D+01  0.181153D+00 -0.763574D+00 -0.267653D-01 -0.920633D+00
      3   0.996628D+00 -0.763574D+00 -0.269992D+00 -0.701231D+00 -0.291983D+00
                21            22            23            24            25 
      1  -0.701231D+00  0.392695D+01 -0.146132D+01 -0.102401D+01 -0.130010D+02
      2  -0.291983D+00 -0.146132D+01  0.248693D+01 -0.224421D+01 -0.105188D+00
      3  -0.281011D+01 -0.102401D+01 -0.224421D+01 -0.115373D+01  0.314933D+00
                26            27            28            29            30 
      1  -0.105188D+00  0.314933D+00 -0.272280D+02 -0.559602D+00  0.100072D+01
      2  -0.758794D+00 -0.696934D+00 -0.559602D+00 -0.138137D+01  0.207884D+00
      3  -0.696934D+00 -0.159368D+01  0.100072D+01  0.207884D+00 -0.255769D+01
                31            32            33            34            35 
      1   0.224702D+01 -0.493432D+01 -0.146527D+01  0.259419D+01 -0.135200D+01
      2  -0.493432D+01  0.497940D+00  0.356206D+00 -0.135200D+01  0.672277D-02
      3  -0.146527D+01  0.356206D+00 -0.418985D-01 -0.654037D+00 -0.798706D+00
                36            37            38            39            40 
      1  -0.654037D+00  0.130121D+02 -0.346579D+00 -0.765014D+00 -0.372720D+01
      2  -0.798706D+00 -0.346579D+00 -0.186850D+01  0.132701D+01 -0.170201D+01
      3   0.808811D+00 -0.765014D+00  0.132701D+01 -0.181513D+01 -0.581372D-01
                41            42            43            44            45 
      1  -0.170201D+01 -0.581372D-01  0.108624D+02 -0.160837D+01  0.338098D+00
      2  -0.258283D+01  0.259971D+01 -0.160837D+01  0.105405D+01  0.127796D+01
      3   0.259971D+01  0.201375D+01  0.338098D+00  0.127796D+01  0.167959D+01
                46            47            48            49            50 
      1  -0.959465D+01  0.369783D+00  0.457900D+00 -0.280955D+01  0.113694D+01
      2   0.369783D+00  0.139273D+01 -0.716844D+00  0.113694D+01 -0.339194D+01
      3   0.457900D+00 -0.716844D+00  0.312376D+01  0.142236D+01  0.210829D+01
                51            52            53            54            55 
      1   0.142236D+01  0.127492D+02  0.121453D+01 -0.839107D+00 -0.148686D+02
      2   0.210829D+01  0.121453D+01 -0.582209D-01  0.136945D+01 -0.215161D+01
      3   0.111812D+01 -0.839107D+00  0.136945D+01  0.778543D+00 -0.463513D+00
                56            57            58            59            60 
      1  -0.215161D+01 -0.463513D+00 -0.529797D+01 -0.694980D+01 -0.548635D+00
      2  -0.333576D+01 -0.126883D+00 -0.694980D+01  0.242864D+01 -0.163423D+01
      3  -0.126883D+00 -0.136206D+01 -0.548635D+00 -0.163423D+01  0.697583D-01
                61            62            63            64            65 
      1  -0.544835D+01 -0.122314D+01 -0.291222D+01 -0.553577D+00  0.296814D+01
      2  -0.122314D+01 -0.285237D+01  0.528890D+00  0.296814D+01  0.357562D+01
      3  -0.291222D+01  0.528890D+00  0.514245D+01  0.100170D+00  0.389350D+00
                66            67            68            69            70 
      1   0.100170D+00  0.105342D+02  0.606374D+01  0.740765D+00  0.550338D+01
      2   0.389350D+00  0.606374D+01 -0.155867D+01  0.198712D+01  0.129884D+01
      3   0.227089D+01  0.740765D+00  0.198712D+01  0.534283D+00  0.338213D+01
                71            72            73            74            75 
      1   0.129884D+01  0.338213D+01  0.579222D+01 -0.228770D+01 -0.118312D+01
      2   0.284083D+01  0.573381D+00 -0.228770D+01 -0.331864D+01 -0.661496D+00
      3   0.573381D+00 -0.678476D+01 -0.118312D+01 -0.661496D+00 -0.177310D+01
                76            77            78            79            80 
      1  -0.368045D+01 -0.367620D+01 -0.867398D+00 -0.214461D+01 -0.929636D+00
      2  -0.367620D+01 -0.451286D-01 -0.270884D+01 -0.929636D+00 -0.375147D+01
      3  -0.867398D+00 -0.270884D+01 -0.113578D+01 -0.250015D+01 -0.180560D+01
                81            82            83            84            85 
      1  -0.250015D+01  0.525570D+01 -0.180274D+01 -0.550565D+00 -0.357937D+01
      2  -0.180560D+01 -0.180274D+01 -0.338100D+01 -0.527982D+00 -0.516537D+01
      3   0.506782D+01 -0.550565D+00 -0.527982D+00 -0.279399D+01 -0.832366D+00
                86            87            88            89            90 
      1  -0.516537D+01 -0.832366D+00 -0.185374D+01 -0.888886D+00 -0.420961D+01
      2   0.212282D+01 -0.357997D+01 -0.888886D+00 -0.369053D+01 -0.320598D+00
      3  -0.357997D+01 -0.450845D+00 -0.420961D+01 -0.320598D+00  0.436169D+01
                91            92            93            94            95 
      1   0.380276D+01  0.248597D+01  0.280338D+00 -0.553170D+00  0.563224D+01
      2   0.248597D+01  0.178342D+01  0.902349D+00  0.563224D+01 -0.302516D+01
      3   0.280338D+00  0.902349D+00  0.133908D+01  0.176581D+01  0.106254D+00
                96            97            98            99           100 
      1   0.176581D+01  0.343351D+01  0.168341D+01  0.182997D+01  0.306427D+01
      2   0.106254D+00  0.168341D+01  0.183295D+01  0.189334D+01 -0.178416D+01
      3   0.145969D+01  0.182997D+01  0.189334D+01 -0.414167D+01  0.168252D+01
               101           102           103           104           105 
      1  -0.178416D+01  0.168252D+01 -0.190319D+01 -0.646521D+00 -0.132618D+01
      2   0.298554D+00 -0.812189D+00 -0.646521D+00  0.295093D+01  0.384012D-01
      3  -0.812189D+00  0.469959D+00 -0.132618D+01  0.384012D-01 -0.197443D+01
               106           107           108           109           110 
      1   0.278716D+01 -0.246239D+01  0.140624D+01 -0.545832D+01  0.205642D+01
      2  -0.246239D+01  0.185978D+01 -0.239788D+01  0.205642D+01 -0.153663D+01
      3   0.140624D+01 -0.239788D+01  0.299020D+01 -0.347143D+01  0.648678D+00
               111           112           113           114           115 
      1  -0.347143D+01  0.309765D+01 -0.237403D+01  0.123434D+01 -0.783702D+01
      2   0.648678D+00 -0.237403D+01  0.263856D+01 -0.219016D+01  0.293888D+01
      3  -0.192075D+01  0.123434D+01 -0.219016D+01  0.211937D+01 -0.322806D+01
               116           117           118           119           120 
      1   0.293888D+01 -0.322806D+01  0.815269D+00 -0.362433D-01  0.118690D+01
      2  -0.435462D+01  0.199952D+01 -0.362433D-01  0.215184D+01  0.412828D+00
      3   0.199952D+01 -0.752972D+01  0.118690D+01  0.412828D+00  0.270002D+00
               121           122           123           124           125 
      1   0.197971D+00  0.209287D+01  0.138255D+00  0.348741D+01 -0.122758D+01
      2   0.209287D+01 -0.551629D+01  0.832131D+00 -0.122758D+01  0.295010D+01
      3   0.138255D+00  0.832131D+00  0.377087D+00 -0.100008D+01  0.251507D+01
               126           127           128           129           130 
      1  -0.100008D+01  0.195678D+01  0.605717D+00 -0.195558D+01  0.282434D+00
      2   0.251507D+01  0.605717D+00  0.309519D+00 -0.409504D+00  0.152968D+00
      3   0.454515D+01 -0.195558D+01 -0.409504D+00  0.210062D+01 -0.661741D+00
               131           132           133           134           135 
      1   0.152968D+00 -0.661741D+00 -0.225816D+01 -0.869399D+00  0.255845D+01
      2   0.430189D+00 -0.598569D+00 -0.869399D+00 -0.124587D+01  0.165973D+01
      3  -0.598569D+00  0.221910D+01  0.255845D+01  0.165973D+01 -0.700221D+01
               136           137           138           139           140 
      1  -0.367823D+01  0.973388D+00 -0.183788D+01  0.152766D+01 -0.566423D+00
      2   0.973388D+00 -0.765140D+00  0.567566D+00 -0.566423D+00  0.580392D+00
      3  -0.183788D+01  0.567566D+00 -0.177428D+01  0.109285D+01 -0.576213D+00
               141           142           143           144           145 
      1   0.109285D+01 -0.245889D+01  0.904649D+00 -0.243156D+01 -0.206521D+01
      2  -0.576213D+00  0.904649D+00 -0.124116D+01  0.139664D+01 -0.650288D+00
      3   0.174053D+01 -0.243156D+01  0.139664D+01 -0.443706D+01  0.204483D+01
               146           147           148           149           150 
      1  -0.650288D+00  0.204483D+01 -0.468404D+00 -0.167843D+00  0.689612D+00
      2  -0.384496D+00  0.635768D+00 -0.167843D+00 -0.596209D+00  0.787415D+00
      3   0.635768D+00 -0.222769D+01  0.689612D+00  0.787415D+00 -0.230600D+01
               151           152           153           154           155 
      1   0.207720D+01  0.100965D+01 -0.263516D+01  0.361330D+01 -0.111382D+01
      2   0.100965D+01  0.162774D+01 -0.236173D+01 -0.111382D+01  0.955753D+00
      3  -0.263516D+01 -0.236173D+01  0.731296D+01  0.247578D+01 -0.108657D+01
               156           157           158           159           160 
      1   0.247578D+01 -0.181604D+01  0.700307D+00 -0.135431D+01  0.264621D+01
      2  -0.108657D+01  0.700307D+00 -0.846295D+00  0.890852D+00 -0.122546D+01
      3   0.230530D+01 -0.135431D+01  0.890852D+00 -0.203826D+01  0.284630D+01
               161           162           163           164           165 
      1  -0.122546D+01  0.284630D+01  0.113147D+01 -0.495455D-02 -0.144056D+01
      2   0.165082D+01 -0.208840D+01 -0.495455D-02  0.741959D+00  0.275826D+00
      3  -0.208840D+01  0.499183D+01 -0.144056D+01  0.275826D+00  0.133565D+01
               166           167           168           169           170 
      1   0.162045D+01  0.115285D+01 -0.545974D-01 -0.362546D+01  0.104071D+00
      2   0.115285D+01 -0.334501D+00 -0.661253D+00  0.104071D+00 -0.117106D+01
      3  -0.545974D-01 -0.661253D+00  0.939559D-01  0.233586D+01 -0.113201D+01
               171           172           173           174           175 
      1   0.233586D+01  0.404613D+01 -0.180261D+01  0.634733D+00 -0.413769D+01
      2  -0.113201D+01 -0.180261D+01  0.223835D+01 -0.531260D-01  0.331902D+01
      3  -0.615517D+01  0.634733D+00 -0.531260D-01  0.392437D+00 -0.176720D+00
               176           177           178           179           180 
      1   0.331902D+01 -0.176720D+00  0.463296D+01 -0.382764D+00  0.100983D+01
      2  -0.648598D+01  0.806051D+00 -0.382764D+00  0.197159D+01 -0.101342D+01
      3   0.806051D+00 -0.789153D+00  0.100983D+01 -0.101342D+01  0.280529D+00
               181           182           183           184           185 
      1  -0.671829D+00 -0.722736D+00  0.123806D+01 -0.151468D+01 -0.853178D+00
      2  -0.722736D+00 -0.818864D+00 -0.724497D-01 -0.853178D+00  0.161485D+00
      3   0.123806D+01 -0.724497D-01 -0.976326D+00  0.936683D-01  0.697257D+00
               186           187           188           189           190 
      1   0.936683D-01  0.222617D+01  0.128151D+00 -0.544881D+00 -0.853815D+01
      2   0.697257D+00  0.128151D+00  0.108065D+01 -0.363839D-01  0.562831D+00
      3  -0.932239D-01 -0.544881D+00 -0.363839D-01  0.707612D+01  0.461596D+00
               191           192           193           194           195 
      1   0.562831D+00  0.461596D+00  0.228605D+00 -0.143248D+01  0.556504D-01
      2  -0.235485D+01  0.801231D-01 -0.143248D+01  0.636157D+00  0.332608D+00
      3   0.801231D-01 -0.676553D+00  0.556504D-01  0.332608D+00  0.371917D+00
               196           197           198           199           200 
      1   0.543088D+00 -0.100476D+00 -0.353030D+00  0.416677D+00  0.604612D+00
      2  -0.100476D+00  0.605621D+00  0.529279D+00  0.604612D+00  0.927422D+00
      3  -0.353030D+00  0.529279D+00 -0.265639D+00 -0.983629D+00 -0.307346D+00
               201           202           203           204           205 
      1  -0.983629D+00  0.300811D+00  0.573297D+00 -0.950398D-01 -0.181005D+01
      2  -0.307346D+00  0.573297D+00  0.743166D+00 -0.705576D+00 -0.537531D+00
      3   0.129388D+01 -0.950398D-01 -0.705576D+00  0.597177D+00  0.143901D+01
               206           207           208           209           210 
      1  -0.537531D+00  0.143901D+01  0.237527D+01  0.257154D+01  0.926134D+00
      2  -0.199976D+01  0.188342D+01  0.257154D+01  0.334845D+01  0.714491D+00
      3   0.188342D+01 -0.654439D+01  0.926134D+00  0.714491D+00  0.972807D+00
               211           212           213           214           215 
      1   0.234499D+01  0.320763D+01  0.844949D+00  0.185814D+01  0.145084D+01
      2   0.320763D+01  0.657408D+01  0.188363D+01  0.145084D+01  0.335703D+01
      3   0.844949D+00  0.188363D+01  0.135712D+01  0.124340D+01  0.178453D+01
               216           217           218           219           220 
      1   0.124340D+01  0.180974D+01  0.132415D+00 -0.153423D+01  0.419070D+00
      2   0.178453D+01  0.132415D+00  0.593828D+00  0.545012D-01  0.109688D+01
      3   0.113650D+01 -0.153423D+01  0.545012D-01  0.161338D+01 -0.534096D-02
               221           222           223           224           225 
      1   0.109688D+01 -0.534096D-02 -0.442517D+01  0.113343D+00  0.327027D+01
      2  -0.151226D+00 -0.441061D+00  0.113343D+00 -0.985116D+00 -0.331463D-01
      3  -0.441061D+00  0.132364D+00  0.327027D+01 -0.331463D-01 -0.597942D+01
               226           227           228           229           230 
      1   0.174991D+01 -0.167463D+01  0.837719D+00 -0.392898D+01  0.326454D+01
      2  -0.167463D+01  0.171384D+01 -0.488641D+00  0.326454D+01 -0.571995D+01
      3   0.837719D+00 -0.488641D+00  0.815436D+00 -0.100227D+01  0.188543D+01
               231           232           233           234           235 
      1  -0.100227D+01  0.192987D+01 -0.897284D+00  0.153705D+01  0.467536D+01
      2   0.188543D+01 -0.897284D+00  0.211942D+01 -0.126276D+01  0.242217D+01
      3  -0.153150D+01  0.153705D+01 -0.126276D+01  0.106321D+01  0.171521D+01
               236           237           238           239           240 
      1   0.242217D+01  0.171521D+01  0.547258D+01  0.340417D+01  0.155214D+01
      2   0.194180D+01  0.882566D+00  0.340417D+01  0.337752D+01  0.173472D+01
      3   0.882566D+00  0.138515D+01  0.155214D+01  0.173472D+01  0.159100D+01
               241           242           243           244           245 
      1   0.359666D+01  0.142440D+01  0.237469D+01  0.361630D+00 -0.824695D+00
      2   0.142440D+01  0.195888D+01  0.130196D+01 -0.824695D+00 -0.495658D+00
      3   0.237469D+01  0.130196D+01  0.159436D+01  0.136987D+01  0.698276D-01
               246           247           248           249           250 
      1   0.136987D+01 -0.118897D+01 -0.991707D+00  0.179824D+00  0.259619D+01
      2   0.698276D-01 -0.991707D+00 -0.604063D+00  0.107224D+01  0.234149D+00
      3  -0.110967D+01  0.179824D+00  0.107224D+01 -0.118070D+01 -0.189127D+01
               251           252           253           254           255 
      1   0.234149D+00 -0.189127D+01  0.787512D+01 -0.200975D+00 -0.165213D+01
      2   0.150353D+01 -0.105748D+01 -0.200975D+00 -0.338022D+01 -0.688411D+00
      3  -0.105748D+01  0.594733D+01 -0.165213D+01 -0.688411D+00 -0.102781D+01
               256           257           258           259           260 
      1  -0.431863D+01 -0.375316D+01 -0.118925D+01 -0.591461D+01 -0.155199D+01
      2  -0.375316D+01  0.347137D+01 -0.139929D+01 -0.155199D+01 -0.247726D+01
      3  -0.118925D+01 -0.139929D+01 -0.172961D+01 -0.153124D+01 -0.138280D+01
               261           262           263           264           265 
      1  -0.153124D+01 -0.105726D+01  0.151236D+01  0.501269D+00  0.170636D+01
      2  -0.138280D+01  0.151236D+01 -0.207261D+01 -0.473131D+00 -0.290580D+01
      3   0.366912D+01  0.501269D+00 -0.473131D+00 -0.431925D+00 -0.554458D+00
               266           267           268           269           270 
      1  -0.290580D+01 -0.554458D+00 -0.264945D+00  0.569612D+00 -0.212092D+00
      2   0.918217D+01  0.173216D+01  0.569612D+00 -0.144058D+01  0.528875D+00
      3   0.173216D+01  0.160903D+01 -0.212092D+00  0.528875D+00  0.473363D+00
               271           272           273           274           275 
      1  -0.146256D+02 -0.214107D+01  0.185479D+00  0.247564D+00 -0.105510D+01
      2  -0.214107D+01 -0.150594D+01 -0.147263D+00 -0.105510D+01 -0.543998D+00
      3   0.185479D+00 -0.147263D+00 -0.107750D+01  0.109232D+00  0.216572D+00
               276           277           278           279           280 
      1   0.109232D+00  0.214431D+01  0.486718D+00 -0.114113D+01  0.102189D+00
      2   0.216572D+00  0.486718D+00  0.639016D+00 -0.279063D-01 -0.789931D+00
      3   0.227406D+00 -0.114113D+01 -0.279063D-01  0.433740D-01  0.310182D+00
               281           282           283           284           285 
      1  -0.789931D+00  0.310182D+00 -0.150226D+01 -0.817354D-01 -0.250303D-01
      2   0.222243D+01  0.213661D+00 -0.817354D-01 -0.822935D+01  0.542330D-01
      3   0.213661D+00  0.444549D+00 -0.250303D-01  0.542330D-01 -0.908680D+00
               286           287           288           289           290 
      1   0.100585D+01  0.329107D+00  0.106927D+00 -0.294578D+00  0.295720D+00
      2   0.329107D+00  0.128070D+01 -0.741018D+00  0.295720D+00  0.503312D+00
      3   0.106927D+00 -0.741018D+00 -0.648648D-01 -0.555449D+00  0.202262D+00
               291           292           293           294           295 
      1  -0.555449D+00  0.117175D+01  0.395767D+00  0.196645D+00 -0.194521D+01
      2   0.202262D+00  0.395767D+00  0.229916D+00 -0.397522D+00 -0.339136D+00
      3   0.348927D+00  0.196645D+00 -0.397522D+00  0.698388D+00 -0.737508D+00
               296           297 
      1  -0.339136D+00 -0.737508D+00
      2  -0.137770D+01 -0.297530D+00
      3  -0.297530D+00 -0.616851D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.146597D+01 -0.203707D+01  0.132102D+01 -0.680373D+01 -0.208845D+01
      2   0.260369D+01 -0.234209D+01  0.974478D+01 -0.236575D+01  0.173387D+01
      3   0.162085D+02 -0.158084D+01  0.285334D+01  0.816908D+01 -0.197583D+01
                 6             7             8             9            10 
      1  -0.198763D+01 -0.130754D+01  0.154015D+01 -0.421743D+00 -0.149407D+01
      2  -0.350630D+01 -0.407270D+01 -0.108707D+01  0.281535D+01  0.145486D+00
      3   0.241335D+01  0.137213D+02  0.188482D+00  0.262188D+01 -0.293549D+02
                11            12            13            14            15 
      1   0.149557D+00  0.157092D+01  0.192323D+01  0.387427D+01 -0.864391D+01
      2   0.823332D+00 -0.404524D+01  0.514673D+01  0.201274D-01  0.909929D+00
      3  -0.813819D+00  0.478259D+00  0.104104D+02 -0.114059D+01 -0.246513D+00
                16            17            18            19            20 
      1  -0.336787D+01 -0.120597D+01 -0.452646D+01 -0.445192D+00  0.130970D+01
      2  -0.249034D+02 -0.169833D+01 -0.295525D+01 -0.372262D+01 -0.199950D+01
      3  -0.151541D+01 -0.166779D+01 -0.105714D+01 -0.976273D+01 -0.157392D+01
                21            22            23            24            25 
      1  -0.136198D+01  0.595229D+01 -0.196438D+01 -0.346855D+01  0.472561D+01
      2   0.278754D+01 -0.425545D+01 -0.217019D+01  0.110877D+01 -0.109399D+01
      3   0.243946D+01  0.821304D+01  0.158201D+01 -0.291399D+01  0.164275D+02
                26            27            28            29            30 
      1   0.136303D+01 -0.159853D+01  0.142861D+01  0.686431D+00 -0.262430D+01
      2   0.765110D+00 -0.148910D+01  0.933624D+00  0.213033D+01 -0.361583D+01
      3  -0.773263D+00 -0.407406D+01  0.250228D+02  0.117652D+01 -0.261473D+01
                31            32            33            34            35 
      1  -0.171559D+01  0.443602D+01 -0.885196D+01 -0.479127D+01 -0.650833D+00
      2   0.523449D+01  0.352114D+00  0.244000D+01 -0.256627D+02  0.292440D+01
      3   0.767873D+01  0.494817D+01  0.882522D+00 -0.636681D+01 -0.175934D+01
                36            37            38            39            40 
      1  -0.337372D+01 -0.193498D+01 -0.420356D+00 -0.103411D+01 -0.585988D+01
      2  -0.185703D+01  0.199117D+00 -0.252365D+01  0.875975D+01 -0.361084D+01
      3   0.169488D+01 -0.129415D+02 -0.874464D+00  0.288080D+01  0.142540D+02
                41            42            43            44            45 
      1   0.153934D+01  0.104055D+01 -0.222756D+01  0.319247D+01  0.247907D+01
      2   0.149568D+01 -0.230827D+01 -0.664933D+01 -0.859025D+00  0.263794D+01
      3  -0.468322D+00  0.256396D+01 -0.929943D+01  0.314321D+01  0.177959D+01
                46            47            48            49            50 
      1   0.112970D+01  0.901906D+00  0.247426D+01  0.863473D+01  0.141173D+01
      2  -0.182756D+01 -0.196339D+01  0.348216D+01 -0.379232D+01 -0.163880D+01
      3   0.126612D+02 -0.187850D+01 -0.396116D+00  0.133159D+02  0.101518D+01
                51            52            53            54            55 
      1  -0.243744D+01  0.283863D+01  0.315094D+01  0.511172D+00 -0.127909D+01
      2   0.120524D+01 -0.176132D+01  0.145940D+01 -0.182188D+01 -0.431613D+01
      3  -0.470046D+01 -0.101205D+02 -0.115461D+01 -0.166791D+01  0.160446D+02
                56            57            58            59            60 
      1  -0.132299D+00 -0.599672D+00 -0.226251D+00 -0.501904D+01 -0.918517D+00
      2   0.150468D+00 -0.383647D+00 -0.204994D+01 -0.996869D+01  0.149438D+01
      3   0.908188D+01  0.636089D+00  0.341119D+02 -0.668073D+00  0.586015D+01
                61            62            63            64            65 
      1  -0.987712D-01  0.373349D+01  0.438796D+01  0.190699D+01  0.106255D+01
      2  -0.198503D+02  0.266036D+00  0.196437D+02  0.454991D+01  0.150714D+01
      3   0.931461D+01  0.103546D+02  0.175767D+01 -0.192649D+02 -0.187837D+02
                66            67            68            69            70 
      1  -0.149802D+01 -0.472405D+00 -0.157681D+01 -0.203408D+01  0.468111D+00
      2   0.119281D+02  0.460944D+01  0.954116D+01  0.646828D+00  0.107839D+02
      3  -0.175580D+01 -0.236179D+02  0.551201D+01 -0.803810D+01 -0.995593D+01
                71            72            73            74            75 
      1   0.454185D+01  0.397906D+01  0.220065D+01  0.199961D+01  0.435194D+01
      2   0.320403D+01 -0.311386D+02 -0.145990D+01 -0.389730D+01 -0.441243D+01
      3  -0.119538D+02 -0.247677D+01  0.241704D+02  0.334893D+01  0.592911D+00
                76            77            78            79            80 
      1   0.280152D+01  0.853972D+01  0.163561D+01  0.618796D+01  0.775856D+01
      2  -0.488091D+01 -0.100121D+02 -0.413862D+01 -0.110477D+02 -0.627539D+01
      3   0.928874D+01 -0.683965D+01  0.789487D+01  0.111365D+01  0.110829D+02
                81            82            83            84            85 
      1  -0.109006D+02 -0.400095D+00 -0.284570D+00  0.284912D+00 -0.104549D+00
      2   0.172770D+02 -0.593279D+01 -0.236092D+01 -0.142120D+02 -0.378833D+01
      3   0.277147D+01  0.938444D+01  0.175083D+02  0.290849D+01  0.343517D+02
                86            87            88            89            90 
      1   0.106147D+01 -0.220609D+01  0.530025D+00  0.969853D+00 -0.106010D+01
      2  -0.198912D+02 -0.117591D+01 -0.281197D+02 -0.152352D+01  0.254401D+02
      3  -0.129743D+02  0.205682D+02  0.459144D+01  0.206843D+02  0.195799D+01
                91            92            93            94            95 
      1   0.760243D+00  0.334559D+00  0.194813D+01  0.213829D+01 -0.144451D+01
      2  -0.358864D+01 -0.336521D+01 -0.142314D+00 -0.398155D+01 -0.321128D+01
      3  -0.128384D+01 -0.666028D-01  0.287547D+01  0.317294D+02 -0.144322D+02
                96            97            98            99           100 
      1  -0.307474D+01  0.296252D+01  0.489734D+01 -0.145581D+01 -0.103886D+01
      2  -0.659926D+01 -0.152617D+02 -0.667944D+01  0.148705D+02  0.133313D+01
      3  -0.642448D+00  0.226596D+01  0.443782D+01  0.503706D+01  0.112765D+02
               101           102           103           104           105 
      1  -0.518992D+01 -0.501423D+01 -0.418544D+00 -0.341217D+00  0.198825D+01
      2   0.328970D+01  0.439051D+01  0.225013D+01  0.152297D+01  0.134807D+02
      3  -0.122839D+02 -0.465298D+01 -0.639552D+01  0.189084D+01  0.246597D+01
               106           107           108           109           110 
      1  -0.665057D+01  0.152052D+00 -0.361652D+01  0.404035D+01  0.286786D+01
      2  -0.409795D+01  0.993128D+01 -0.172313D+02  0.937359D+01 -0.253374D+01
      3  -0.104097D+02  0.126427D+02 -0.642076D+01 -0.422809D+00 -0.511829D+01
               111           112           113           114           115 
      1   0.390267D+01 -0.312794D+00  0.227159D+00 -0.632682D+01  0.386267D+01
      2   0.920662D+01 -0.757123D+00  0.752044D+01 -0.105809D+02  0.459346D+01
      3   0.564906D+00 -0.433909D+01  0.119409D+02 -0.778748D+01  0.111697D+02
               116           117           118           119           120 
      1   0.518426D+01  0.111767D+02 -0.339664D+01  0.264459D+01  0.152630D+00
      2  -0.637749D+01  0.306476D+02 -0.535814D+01 -0.907748D+00  0.446661D-01
      3  -0.187877D+02  0.569400D+01 -0.121248D+01  0.672154D+01  0.397408D+01
               121           122           123           124           125 
      1   0.109658D+01 -0.532303D+01 -0.289597D+01 -0.205848D+01  0.714570D+01
      2  -0.232899D+01 -0.465563D+01 -0.227999D+01 -0.172736D+01 -0.735552D+01
      3   0.793896D+01 -0.142268D+02  0.309861D+01 -0.185281D+01  0.922180D+01
               126           127           128           129           130 
      1  -0.683457D+01 -0.172269D+01 -0.197715D+01  0.895727D+00 -0.183451D+00
      2  -0.150518D+02  0.425359D+01  0.889900D+00 -0.992534D+00  0.525060D+00
      3   0.818377D+01 -0.213622D+00 -0.907481D+00  0.773222D+00  0.820364D+00
               131           132           133           134           135 
      1  -0.131171D+01 -0.204282D+00  0.262489D+01  0.525411D+01 -0.452384D+01
      2  -0.835927D-01  0.693960D+00 -0.467331D+01 -0.383429D+00 -0.169571D+01
      3  -0.413022D+00  0.304846D+00  0.757507D+00  0.210717D+01 -0.152643D+01
               136           137           138           139           140 
      1  -0.204819D+01  0.299187D+01 -0.669000D+00  0.999665D+00 -0.114954D+01
      2  -0.782157D+01  0.153089D+01 -0.894605D+00  0.166911D+01 -0.541293D+00
      3   0.438855D+00 -0.155619D+01  0.676252D+00  0.448185D+00  0.115540D+01
               141           142           143           144           145 
      1  -0.590789D+00 -0.196932D+01  0.398783D+01 -0.250437D+01  0.165149D+01
      2  -0.131548D-01 -0.428486D+01  0.550724D+00  0.104899D+01  0.409939D+01
      3  -0.329645D+00  0.614451D+00 -0.250587D+01  0.162512D+01  0.264549D+01
               146           147           148           149           150 
      1  -0.101734D+01 -0.222696D+01  0.996717D+00 -0.103150D+00 -0.346238D+01
      2   0.450398D+00 -0.952689D+00  0.580630D+00 -0.166813D+00  0.542733D+00
      3  -0.547371D-01 -0.196528D+01  0.152398D+01 -0.367918D+00 -0.525106D+00
               151           152           153           154           155 
      1  -0.155250D+01  0.237866D+01  0.527874D+01  0.227438D+01  0.139317D+01
      2  -0.436192D+01 -0.276638D+00 -0.116173D+01 -0.528272D+01  0.274122D+00
      3  -0.232749D+01  0.892409D+00  0.171723D+01 -0.489746D+01 -0.818428D+00
               156           157           158           159           160 
      1   0.218084D+01 -0.138750D+01  0.115447D+00 -0.358576D+01  0.222783D+01
      2  -0.317599D+00  0.116095D+01  0.148202D+00 -0.850797D+00 -0.294417D+01
      3  -0.217245D+01  0.367353D+01  0.651340D+00  0.933325D+00 -0.290248D+01
               161           162           163           164           165 
      1   0.156528D+01  0.394333D+01 -0.133803D+01 -0.635942D+00  0.109240D+01
      2  -0.177394D+00  0.200371D+01 -0.485919D+01  0.642681D+00  0.515148D+01
      3  -0.130627D+01 -0.173250D+01 -0.176511D+01 -0.343337D+01  0.582136D+00
               166           167           168           169           170 
      1  -0.332320D-03 -0.387303D+00 -0.851261D+00  0.214720D+01  0.221749D+01
      2   0.605393D+00 -0.114536D+01  0.628295D+00  0.202829D+01 -0.372942D+01
      3  -0.324948D+01  0.101710D+00  0.170348D+01  0.305586D+01  0.412108D+01
               171           172           173           174           175 
      1  -0.611080D+01  0.974977D+00 -0.949851D+00  0.135083D+01 -0.150718D+01
      2  -0.201135D+02  0.472829D+01 -0.133678D+01  0.310449D+01 -0.240367D+01
      3   0.299417D+00  0.111777D+01 -0.677816D+01 -0.305105D+00 -0.358946D+01
               176           177           178           179           180 
      1   0.339030D+01 -0.331108D+01  0.142253D+01 -0.110650D+01  0.105099D+01
      2   0.539066D+01 -0.362302D+01  0.329595D+01 -0.381633D+01  0.813021D+00
      3   0.176897D+02 -0.194181D+01 -0.340606D+01 -0.635927D+01  0.181519D+01
               181           182           183           184           185 
      1  -0.221546D+01 -0.139690D+01  0.762837D+00 -0.942198D+00 -0.372891D+00
      2   0.754230D+01  0.588561D+00 -0.442677D+01  0.192029D+01  0.356655D+01
      3   0.241735D+01  0.250353D+01  0.432449D+00  0.511920D+01 -0.595124D+00
               186           187           188           189           190 
      1  -0.497610D+00  0.139888D+01  0.338182D+01 -0.376127D+01  0.324825D+00
      2  -0.913710D+00 -0.795835D+01 -0.945599D+00  0.289347D+02 -0.141427D+01
      3  -0.272384D+01  0.154541D-01 -0.379609D+01 -0.212367D+00 -0.252448D+02
               191           192           193           194           195 
      1   0.588709D+00  0.228883D+01  0.271510D+00 -0.751291D+00 -0.112674D+01
      2   0.354283D+00 -0.424549D+00  0.282278D+00  0.740700D+00  0.287913D+00
      3   0.651017D+01  0.723471D+00  0.681788D+01 -0.390009D+01 -0.118087D+01
               196           197           198           199           200 
      1   0.222261D+01  0.542965D+00  0.567255D+00  0.206779D+01 -0.933017D-01
      2  -0.341289D+01  0.107543D+01 -0.917185D+00 -0.310270D+01 -0.109090D+01
      3   0.105227D+01 -0.227006D+01 -0.269958D+01 -0.216981D+01 -0.334304D+01
               201           202           203           204           205 
      1  -0.268679D+01  0.230296D+00  0.115784D+01 -0.221883D+01 -0.269710D+01
      2   0.471194D+01 -0.337457D+00 -0.204921D+01  0.148211D+01  0.694527D+00
      3  -0.325693D+00 -0.453433D+00 -0.136785D+01  0.204226D+01 -0.214677D+01
               206           207           208           209           210 
      1  -0.103972D+00  0.144345D+02 -0.261735D+01 -0.207056D+01 -0.374089D+01
      2   0.597644D+01 -0.219544D+02  0.343736D+01  0.298788D+01  0.464895D+01
      3   0.705580D+01 -0.495834D+01 -0.427038D+01 -0.898641D+01 -0.650460D+00
               211           212           213           214           215 
      1  -0.318322D+01 -0.531000D+01 -0.566192D+01 -0.330515D+01 -0.314277D+01
      2   0.302119D+01  0.721020D+01  0.581129D+01  0.341542D+01  0.646807D+01
      3  -0.324807D+01 -0.181085D+02 -0.479604D+01 -0.623131D+00 -0.998679D+01
               216           217           218           219           220 
      1  -0.345995D+01  0.266726D+00 -0.387360D+00 -0.651962D-01  0.122831D+00
      2   0.428474D+01 -0.895456D+01  0.245641D+00  0.105155D+02 -0.511522D-01
      3  -0.417796D+01 -0.649438D+00 -0.422538D+01 -0.334738D+00 -0.446451D+01
               221           222           223           224           225 
      1   0.289512D-01 -0.842976D+00 -0.577669D+00  0.248797D+01  0.911177D+00
      2  -0.234684D+01  0.674434D+00  0.151828D+02 -0.122480D+00 -0.349632D+02
      3   0.876084D+00  0.204301D+01 -0.764109D+00  0.634881D+01 -0.122710D+00
               226           227           228           229           230 
      1  -0.676955D+00  0.664569D+00  0.411444D+00  0.790464D+00 -0.238283D+01
      2   0.421224D+01 -0.231387D+01  0.507733D+01 -0.381256D+01  0.100492D+02
      3   0.896640D+01 -0.105926D+02  0.278689D+01 -0.143715D+02  0.324325D+02
               231           232           233           234           235 
      1  -0.160990D+01 -0.248450D+00  0.176230D+01  0.185957D+00  0.273341D+00
      2  -0.946004D+01  0.629747D+01 -0.681399D+01  0.549033D+01  0.793145D+01
      3  -0.104690D+02  0.420216D+01 -0.122612D+02  0.661793D+01 -0.120203D+02
               236           237           238           239           240 
      1   0.787213D+00 -0.890011D+00  0.307968D+00  0.119409D+01 -0.153134D+01
      2   0.423239D+01  0.918019D+01  0.647748D+01  0.890328D+01  0.968327D+01
      3  -0.126072D+02 -0.479640D+01 -0.157128D+02 -0.195314D+02 -0.955163D+01
               241           242           243           244           245 
      1  -0.552703D+00  0.149388D+01 -0.660592D+00  0.345382D+00 -0.366575D+00
      2   0.106264D+02  0.685094D+01  0.846930D+01 -0.578416D+01  0.856134D-01
      3  -0.668205D+01 -0.117014D+02 -0.689568D+01 -0.274141D+01 -0.182566D+01
               246           247           248           249           250 
      1  -0.825552D+00 -0.111990D+00  0.999296D-01 -0.922038D+00 -0.122043D+01
      2   0.366675D+01  0.312500D+00 -0.265328D+01  0.409044D+01  0.119207D+01
      3  -0.534415D+00 -0.881384D+00 -0.122190D+01  0.286377D+01 -0.114560D+01
               251           252           253           254           255 
      1   0.266681D+01  0.323911D+01 -0.212434D+01  0.997841D+00 -0.227957D+01
      2   0.356597D+01 -0.186677D+02  0.139213D+02  0.354508D+01  0.631790D+01
      3   0.404728D+01 -0.215946D+01 -0.149706D+02 -0.154316D+02  0.499481D-01
               256           257           258           259           260 
      1  -0.142815D+01 -0.597106D+01 -0.374653D+01 -0.911632D+00  0.108508D+01
      2   0.485500D+01  0.497726D+01  0.600866D+01  0.457453D+01  0.516764D+01
      3  -0.775659D+01  0.198434D+02 -0.396803D+01  0.669449D+00 -0.657034D+01
               261           262           263           264           265 
      1   0.878121D+01  0.987202D+00 -0.159229D+01  0.600064D+00 -0.272379D+01
      2  -0.179286D+02 -0.634997D+00  0.285005D+00  0.121474D+01  0.506123D-02
      3  -0.441853D+01  0.320460D+01 -0.499197D+01 -0.178344D+01 -0.478121D+01
               266           267           268           269           270 
      1   0.882627D+01 -0.197711D+01  0.467686D+00 -0.119839D+01  0.916025D+00
      2  -0.325918D+01 -0.515777D+01  0.308963D+00 -0.174196D+01 -0.106436D+01
      3   0.281241D+02  0.533117D+01  0.149340D+01 -0.497294D+01  0.159437D+01
               271           272           273           274           275 
      1   0.111450D+01  0.580413D+00 -0.232777D+01  0.841068D+00  0.664143D+00
      2  -0.757028D+01 -0.242534D+00  0.781465D+01 -0.906060D+00 -0.139235D+01
      3   0.141547D+02 -0.598030D+01 -0.109519D+01 -0.322886D+01 -0.668421D+00
               276           277           278           279           280 
      1  -0.181337D+00 -0.199747D+01  0.603141D+00 -0.944046D-01  0.137640D+01
      2  -0.536501D+00  0.427795D+01 -0.140419D+00 -0.295280D+00 -0.105776D+01
      3   0.833041D+00 -0.128681D+01  0.192960D+01  0.174442D+01 -0.506048D+01
               281           282           283           284           285 
      1  -0.805661D+00  0.171593D+01 -0.429663D+00  0.498314D+01 -0.411107D+01
      2  -0.964791D+00 -0.136760D+01 -0.808356D+00 -0.431342D-01  0.308436D+01
      3   0.866536D+01 -0.198698D+00  0.550288D+01 -0.303577D+02  0.702688D+00
               286           287           288           289           290 
      1   0.750765D+00 -0.106939D+01  0.533749D+00 -0.185759D+01 -0.603380D+00
      2  -0.168415D+01  0.248859D+01  0.354196D+00  0.441982D+01  0.422213D-01
      3  -0.116671D+01  0.416064D+01 -0.286754D+01  0.140956D+01  0.101461D+01
               291           292           293           294           295 
      1   0.538668D+00 -0.292231D+00 -0.226581D+01  0.978321D+00 -0.180136D+00
      2  -0.192420D+01  0.147474D+01  0.205657D+01 -0.312905D+01 -0.201862D+01
      3   0.114107D+01  0.103664D+01  0.617141D+00 -0.169335D+01  0.150696D+01
               296           297 
      1   0.339658D+01 -0.112605D+02
      2   0.186553D+00  0.245784D+02
      3  -0.459182D+01  0.555757D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.237450D+01 -0.886002D+01  0.220636D+02  0.159894D+02 -0.366135D+01
      2   0.657956D+01  0.388184D+01 -0.795797D+01 -0.376792D+01  0.426898D+01
      3  -0.420506D+01  0.497818D+01 -0.141056D+02 -0.122214D+02 -0.607636D+00
      4  -0.161292D+01  0.217672D+01  0.169680D+00  0.810831D+01  0.451088D+01
      5   0.198000D+02  0.945919D+00 -0.715503D+01 -0.527937D+01 -0.284762D+01
      6  -0.220456D+00 -0.243693D+01  0.113116D+01 -0.827988D+00  0.399867D+01
                 6             7             8             9            10 
      1  -0.171632D+02 -0.229230D+02 -0.958139D+01  0.560045D+01  0.499259D+02
      2   0.135586D+01  0.363393D+01  0.189533D+01  0.332962D+01 -0.191996D+02
      3   0.158073D+02  0.192891D+02  0.768606D+01 -0.893007D+01 -0.307263D+02
      4  -0.427210D+01  0.347745D+01 -0.186098D+01 -0.495888D+01 -0.116005D+02
      5  -0.427877D+01  0.944437D+01 -0.450630D+01  0.575082D+01 -0.512331D+01
      6   0.122201D+02 -0.741234D+01  0.443679D+01  0.143637D+02  0.257414D+01
                11            12            13            14            15 
      1   0.694334D+01 -0.114331D+01  0.992693D+01 -0.655481D+00  0.713391D+01
      2  -0.560742D+01  0.290201D+01 -0.986557D+01  0.696776D+01 -0.823130D+00
      3  -0.133592D+01 -0.175870D+01 -0.613632D-01 -0.631228D+01 -0.631078D+01
      4   0.177957D+01 -0.325305D+01  0.176114D+02 -0.540933D+01 -0.119829D+01
      5  -0.382160D+01  0.671471D+01  0.111488D+02 -0.107816D+01 -0.181710D+01
      6   0.482602D+00 -0.587930D+01 -0.531618D+01  0.420129D+01  0.797646D+01
                16            17            18            19            20 
      1  -0.947077D+01  0.726086D+01 -0.201192D+02 -0.121605D+01  0.606421D+01
      2  -0.105088D+01  0.380307D+01  0.282213D+01 -0.193415D+01 -0.256144D+01
      3   0.105217D+02 -0.110639D+02  0.172971D+02  0.315020D+01 -0.350277D+01
      4   0.145830D+02  0.971657D+00 -0.199800D+01  0.362641D+01 -0.311396D+00
      5  -0.151870D+02 -0.174143D+01 -0.387303D+01 -0.171449D+02  0.230936D+01
      6  -0.401557D+01  0.228370D+01 -0.496120D+01  0.280527D+01  0.407330D+01
                21            22            23            24            25 
      1  -0.264536D+02 -0.944478D+01 -0.491121D+01 -0.625126D+01  0.237259D+02
      2   0.705254D+01 -0.197474D+01  0.642023D+01 -0.864347D-01 -0.126017D+01
      3   0.194010D+02  0.114195D+02 -0.150902D+01  0.633770D+01 -0.224657D+02
      4   0.201666D+01  0.363899D+01 -0.178729D+01  0.418318D+01  0.417505D+01
      5  -0.190870D+01  0.803541D+00  0.259320D+01  0.671595D+01  0.121890D+02
      6   0.407763D+01  0.311757D+01  0.230277D+01  0.735099D+01  0.102550D+02
                26            27            28            29            30 
      1  -0.869366D+01  0.921512D+01  0.162227D+02 -0.437377D+00  0.102918D+01
      2   0.205800D+01 -0.275476D+01 -0.327997D+01  0.455549D+01  0.797177D+00
      3   0.663566D+01 -0.646036D+01 -0.129427D+02 -0.411811D+01 -0.182636D+01
      4   0.301954D+01  0.716312D+01  0.236059D+02  0.196905D+01 -0.182816D+01
      5   0.518908D+01 -0.452935D+01  0.232514D+01 -0.119418D+01  0.706453D+01
      6   0.151804D+01  0.101944D+02  0.383191D+01 -0.119690D+01  0.405872D+01
                31            32            33            34            35 
      1  -0.833631D+00 -0.948312D+00  0.865906D+01 -0.958928D+01  0.103644D+02
      2   0.708732D+01  0.494345D+01 -0.235878D+01  0.221281D+01  0.190340D+01
      3  -0.625369D+01 -0.399514D+01 -0.630027D+01  0.737646D+01 -0.122678D+02
      4   0.165497D+02  0.520970D+00  0.193407D+01  0.116890D+02  0.507681D+01
      5   0.123747D+02  0.479891D+00  0.947784D+00 -0.179887D+02  0.230484D+01
      6  -0.108989D+01  0.375716D+01  0.588127D+01 -0.165122D+01  0.237351D+01
                36            37            38            39            40 
      1  -0.228646D+02  0.101254D+02 -0.121495D+02  0.244900D+02  0.331915D+01
      2   0.411441D+01 -0.132826D+00  0.951822D+01 -0.119768D+02  0.484220D+01
      3   0.187502D+02 -0.999258D+01  0.263129D+01 -0.125132D+02 -0.816136D+01
      4   0.164870D+00 -0.947958D+01 -0.108160D+01  0.428151D+01  0.144054D+02
      5  -0.228478D+01  0.137820D+02  0.221399D+01 -0.892648D+01 -0.279726D+01
      6  -0.687879D+01 -0.236644D+00 -0.504662D+01  0.584425D+01 -0.771976D+00
                41            42            43            44            45 
      1  -0.109325D+02 -0.758765D+01 -0.179473D+02 -0.537867D+01  0.943136D+01
      2   0.157857D+02 -0.101947D+02  0.198549D+01 -0.222962D+01 -0.149458D+01
      3  -0.485326D+01  0.177824D+02  0.159618D+02  0.760829D+01 -0.793678D+01
      4   0.688623D+01 -0.347486D+01 -0.367164D+01 -0.204180D+01 -0.601204D+01
      5  -0.212290D+01 -0.271733D+01  0.758383D+01 -0.572096D+01  0.775449D+01
      6  -0.638154D+01  0.643519D+01 -0.936160D+01  0.257631D+00  0.842054D+01
                46            47            48            49            50 
      1  -0.935436D+01  0.911969D+01 -0.259079D+02 -0.590398D+01 -0.153040D+02
      2   0.296440D+01 -0.674928D+01  0.823602D+01 -0.601418D+01  0.213220D+02
      3   0.638996D+01 -0.237040D+01  0.176719D+02  0.119182D+02 -0.601808D+01
      4   0.915207D+01  0.399706D+00  0.391634D+01  0.562104D+01 -0.681011D+01
      5  -0.142130D+02  0.463879D+01 -0.318318D+01  0.535175D+01  0.260630D+01
      6   0.334354D+01  0.439528D+01 -0.486523D+01  0.654346D-01 -0.561771D+01
                51            52            53            54            55 
      1   0.219102D+01  0.356518D+02 -0.492291D+01  0.983307D+01 -0.379922D+02
      2  -0.102843D+02 -0.886852D+01  0.161317D+00 -0.509975D+01  0.128745D+02
      3   0.809324D+01 -0.267832D+02  0.476159D+01 -0.473332D+01  0.251176D+02
      4   0.173679D+01 -0.438268D+01 -0.753481D+00  0.707800D+01  0.688063D+00
      5   0.663624D+01  0.470725D+01  0.639810D+01 -0.638314D+01 -0.383296D+01
      6   0.410142D+01  0.107818D+02 -0.272757D+01  0.755498D+01  0.182362D+01
                56            57            58            59            60 
      1  -0.104008D+02 -0.421318D+01 -0.366633D+02 -0.282219D+02 -0.430548D+01
      2   0.755688D+01 -0.106629D+01  0.259713D+02  0.318979D+01  0.458598D+01
      3   0.284394D+01  0.527947D+01  0.106920D+02  0.250322D+02 -0.280500D+00
      4  -0.227640D+02 -0.246282D+00 -0.483057D+02  0.254224D+02 -0.116723D+02
      5  -0.657161D+00 -0.958024D+01 -0.408340D+01 -0.119330D+02  0.120276D+01
      6   0.500968D+00  0.157905D+01 -0.355295D+00  0.396409D+01 -0.539740D-01
                61            62            63            64            65 
      1  -0.281920D+02 -0.731294D+01 -0.652517D+01 -0.453224D+02  0.153352D+02
      2   0.472960D+01  0.705752D+01  0.115724D+02  0.292633D+02 -0.353964D+01
      3   0.234624D+02  0.255428D+00 -0.504719D+01  0.160592D+02 -0.117955D+02
      4  -0.464012D+01 -0.195701D+02  0.641448D+01  0.159831D+02  0.265179D+02
      5  -0.229381D+02  0.382952D+01  0.373244D+02 -0.119814D+00  0.306712D+01
      6   0.353327D+01 -0.160253D+01 -0.641956D+01  0.810557D+00 -0.212214D+01
                66            67            68            69            70 
      1  -0.144894D+01  0.509213D+02  0.456809D+02 -0.152184D+00  0.194957D+02
      2  -0.204422D+01 -0.219193D+02 -0.249856D+02  0.183455D+01 -0.771394D+01
      3   0.349316D+01 -0.290020D+02 -0.206953D+02 -0.168236D+01 -0.117818D+02
      4   0.256331D+01  0.426025D+02 -0.130418D+02  0.146318D+02  0.618424D+01
      5   0.166243D+02  0.694301D+01  0.167235D+02  0.263480D+01  0.309257D+02
      6   0.261014D+01  0.241527D+01  0.422854D+01 -0.337109D+00  0.251466D+01
                71            72            73            74            75 
      1   0.194609D+01  0.314854D+02  0.495783D+02 -0.590134D+01 -0.780983D+01
      2   0.306953D+01 -0.762327D+01 -0.342440D+02 -0.761855D+01  0.341145D-01
      3  -0.501563D+01 -0.238622D+02 -0.153343D+02  0.135199D+02  0.777572D+01
      4   0.186641D+02  0.470000D+01 -0.262233D+01 -0.288250D+02 -0.783297D+01
      5   0.398305D+01 -0.520047D+02 -0.764554D+01 -0.555038D+01 -0.118792D+02
      6   0.355921D+01 -0.604367D+01 -0.675319D+01 -0.251359D+01 -0.844567D+01
                76            77            78            79            80 
      1  -0.118993D+02 -0.304080D+02  0.290537D+01 -0.120369D+02  0.220035D+01
      2  -0.556069D+01  0.124914D+02 -0.112800D+02 -0.122961D+01 -0.145542D+02
      3   0.174600D+02  0.179166D+02  0.837463D+01  0.132665D+02  0.123538D+02
      4  -0.333675D+02 -0.116414D+02 -0.198517D+02 -0.898774D+01 -0.284441D+02
      5  -0.618238D+01 -0.194676D+02 -0.837288D+01 -0.192014D+02 -0.136664D+02
      6  -0.507858D+01 -0.158270D+02 -0.400336D+01 -0.102655D+02 -0.805353D+01
                81            82            83            84            85 
      1  -0.816263D+01  0.589629D+02 -0.182962D+02 -0.528969D+01 -0.300766D+02
      2   0.791584D+01 -0.317806D+02  0.861477D+01  0.110264D+01  0.145122D+02
      3   0.246787D+00 -0.271823D+02  0.968143D+01  0.418705D+01  0.155645D+02
      4  -0.183209D+02 -0.210005D+02 -0.372094D+02 -0.604878D+01 -0.563238D+02
      5   0.380385D+02 -0.845994D+01 -0.651711D+01 -0.310530D+02 -0.102078D+02
      6   0.188340D+02 -0.160648D+01 -0.451138D+01 -0.204979D+01 -0.859534D+01
                86            87            88            89            90 
      1  -0.495879D+02 -0.645179D+01 -0.147502D+02 -0.626420D+01 -0.411790D+02
      2   0.240145D+02  0.248451D+01  0.346174D+01  0.225056D+01  0.229072D+02
      3   0.255734D+02  0.396728D+01  0.112884D+02  0.401364D+01  0.182718D+02
      4   0.219496D+02 -0.394178D+02 -0.971707D+01 -0.387786D+02 -0.491303D+01
      5  -0.422387D+02 -0.409687D+01 -0.489373D+02 -0.393660D+01  0.479086D+02
      6   0.432896D+00 -0.454819D+01 -0.322472D+01 -0.484481D+01  0.131352D+01
                91            92            93            94            95 
      1   0.128372D+02 -0.425697D+01 -0.121782D+01 -0.887252D+01 -0.175986D+02
      2  -0.919718D+01 -0.204183D+01 -0.116704D+01  0.376919D+01  0.752583D+01
      3  -0.364004D+01  0.629880D+01  0.238487D+01  0.510333D+01  0.100727D+02
      4  -0.193817D+02 -0.143733D+02 -0.722825D+01 -0.397863D+02  0.135831D+02
      5  -0.592645D+01 -0.651705D+01 -0.822482D+01 -0.128633D+02 -0.269709D+01
      6  -0.408690D+01 -0.214210D+01 -0.415648D+01 -0.247632D+01 -0.473341D+01
                96            97            98            99           100 
      1  -0.671759D+01 -0.148078D+02 -0.835924D+01 -0.144416D+01 -0.729174D+01
      2   0.488321D+00 -0.467239D+00 -0.123386D+01  0.718590D+01  0.173392D+01
      3   0.622927D+01  0.152750D+02  0.959309D+01 -0.574174D+01  0.555782D+01
      4  -0.238678D+01 -0.180846D+02 -0.135661D+02 -0.157954D+02  0.139291D+02
      5  -0.130077D+02 -0.144700D+02 -0.146676D+02  0.298931D+02 -0.170819D+02
      6  -0.258548D+01 -0.762685D+01 -0.293216D+01  0.856151D+01  0.515367D+01
               101           102           103           104           105 
      1   0.610933D+01 -0.855955D+01  0.192184D+02  0.415673D+01  0.958817D+01
      2  -0.300764D+00  0.609516D+01 -0.137512D+02  0.110071D+01 -0.318020D+01
      3  -0.580857D+01  0.246439D+01 -0.546717D+01 -0.525744D+01 -0.640797D+01
      4  -0.280186D+01  0.692403D+01 -0.178141D+01 -0.138642D+02 -0.265791D+01
      5   0.612138D+01 -0.403872D+01  0.756286D+01 -0.250009D+01  0.252641D+02
      6  -0.530641D+01  0.613043D+01 -0.106409D+01 -0.210356D+01 -0.153472D+02
               106           107           108           109           110 
      1  -0.242866D+02  0.103957D+02 -0.553565D+01  0.445441D+02 -0.127802D+02
      2   0.911501D+01  0.242891D+01  0.385296D+01 -0.213702D+02  0.385205D+01
      3   0.151716D+02 -0.128246D+02  0.168269D+01 -0.231739D+02  0.892815D+01
      4   0.201133D+02 -0.188652D+02  0.208722D+02 -0.243966D+02  0.206254D+02
      5  -0.206189D+02  0.188264D+02 -0.246205D+02  0.315556D+02 -0.609601D+01
      6   0.112183D+02 -0.177164D+02  0.613413D+01 -0.109817D+02  0.399209D+01
               111           112           113           114           115 
      1   0.245066D+02 -0.158956D+02  0.366323D+01 -0.173567D+01  0.410053D+02
      2  -0.146435D+02  0.286689D+01  0.779611D+01 -0.113913D+01 -0.200860D+02
      3  -0.986312D+01  0.130287D+02 -0.114593D+02  0.287480D+01 -0.209193D+02
      4  -0.100966D+02  0.252875D+02 -0.233821D+02  0.177854D+02 -0.248719D+02
      5   0.231888D+02 -0.119494D+02  0.171997D+02 -0.199548D+02  0.362474D+02
      6  -0.768712D+01  0.587335D+01 -0.112872D+02  0.177132D+02 -0.111034D+02
               116           117           118           119           120 
      1  -0.417144D+01  0.109573D+02  0.419361D+00 -0.924073D+01 -0.124815D+02
      2  -0.412400D+01 -0.155195D+02 -0.358203D+01  0.121201D+02  0.784308D+01
      3   0.829544D+01  0.456217D+01  0.316267D+01 -0.287937D+01  0.463839D+01
      4   0.330708D+02 -0.184371D+02  0.151219D+01 -0.735709D+01  0.320463D+01
      5  -0.169102D+02  0.600168D+02 -0.792548D+01 -0.128513D+01  0.575948D+01
      6   0.162555D+02 -0.274129D+02  0.341258D+01  0.522948D+01  0.127853D+01
               121           122           123           124           125 
      1  -0.446306D+01 -0.650713D+01 -0.569218D+01 -0.134660D+02 -0.772387D+01
      2   0.128889D+02 -0.146756D+02  0.214916D+01  0.715636D+01  0.801704D+01
      3  -0.842586D+01  0.211827D+02  0.354302D+01  0.630967D+01 -0.293166D+00
      4  -0.101895D+02  0.413705D+02 -0.333231D+01  0.130765D+02 -0.180667D+02
      5   0.175678D+01 -0.270372D+01 -0.530832D+01  0.171554D+02 -0.171982D+02
      6   0.274418D+01  0.208867D+01  0.107302D+02 -0.630905D+01  0.201701D+02
               126           127           128           129           130 
      1  -0.918949D+01 -0.879368D+00 -0.830079D-01  0.355903D+01 -0.256808D+01
      2  -0.658238D+01 -0.511342D+01 -0.120195D+01  0.545348D+01 -0.618879D+00
      3   0.157719D+02  0.599279D+01  0.128496D+01 -0.901251D+01  0.318696D+01
      4  -0.152168D+02  0.108734D+01  0.234629D+01 -0.775696D+00  0.136631D+01
      5  -0.332263D+02 -0.903902D+01 -0.250776D+01  0.117559D+02 -0.277688D+01
      6   0.222569D+02  0.167677D+00 -0.172468D+01 -0.451994D+00 -0.115661D+01
               131           132           133           134           135 
      1  -0.332963D+01  0.783417D+01  0.350134D+01  0.480921D+01 -0.237162D+02
      2  -0.455435D+00  0.309531D+01  0.654330D+01  0.196123D+01 -0.142188D+02
      3   0.378507D+01 -0.109295D+02 -0.100446D+02 -0.677044D+01  0.379350D+02
      4   0.110213D+01 -0.128483D+01 -0.176421D+01 -0.315800D+01  0.203749D+01
      5  -0.262044D+01  0.434709D+01  0.116601D+02  0.398675D+01 -0.185576D+02
      6  -0.306572D+01  0.216374D+01  0.986246D+00  0.569210D+01 -0.270288D+01
               136           137           138           139           140 
      1   0.426228D+01 -0.547747D-01 -0.180899D+01  0.129271D+00 -0.166954D+01
      2  -0.571443D+01  0.948844D+00 -0.422511D+01  0.220238D+01 -0.409616D+00
      3   0.145215D+01 -0.894069D+00  0.603410D+01 -0.233165D+01  0.207916D+01
      4  -0.235097D+01  0.398028D+01 -0.113290D+01  0.274193D+01 -0.287249D+01
      5   0.111140D+02 -0.288487D+01  0.990005D+01 -0.455958D+01  0.320075D+01
      6  -0.231419D+00  0.183721D+01 -0.868637D+00  0.710799D+00 -0.280964D+01
               141           142           143           144           145 
      1   0.498300D+01 -0.293797D+01  0.382317D+01 -0.122560D+02 -0.266218D+01
      2   0.220662D+01 -0.540474D+01  0.103671D+01 -0.836310D+01 -0.279839D+01
      3  -0.718962D+01  0.834271D+01 -0.485989D+01  0.206191D+02  0.546058D+01
      4   0.127662D+01 -0.206007D+01  0.331341D+01 -0.252403D+01  0.527752D+01
      5  -0.580586D+01  0.123282D+02 -0.437599D+01  0.158124D+02 -0.916426D+01
      6   0.211029D+01 -0.190880D+01  0.488477D+01 -0.341644D+01 -0.560810D+01
               146           147           148           149           150 
      1  -0.178783D+01  0.557841D+01 -0.270141D+01 -0.474823D+01  0.882133D+01
      2   0.340799D+00  0.304865D+01 -0.436992D+00  0.120540D+01  0.584421D+00
      3   0.144703D+01 -0.862706D+01  0.313841D+01  0.354283D+01 -0.940575D+01
      4   0.365504D+01 -0.530290D+01  0.235857D+01  0.186236D+01 -0.276891D+01
      5  -0.346640D+01  0.119589D+02 -0.322264D+01 -0.268906D+01  0.420144D+01
      6  -0.354698D+01  0.619551D+01 -0.288427D+01 -0.539004D+01  0.858685D+01
               151           152           153           154           155 
      1   0.729588D+01  0.107448D+02 -0.291882D+02  0.266987D+01  0.255799D+01
      2   0.230652D+01 -0.298857D+01 -0.601234D+01 -0.327849D+01 -0.236888D+01
      3  -0.960240D+01 -0.775620D+01  0.352005D+02  0.608622D+00 -0.189105D+00
      4  -0.581464D+01 -0.513498D+01  0.791642D+01 -0.105048D+02  0.742343D+01
      5   0.111220D+02  0.530314D+01 -0.178936D+02  0.151779D+02 -0.593068D+01
      6   0.817883D+01  0.126794D+02 -0.230230D+02 -0.867484D+01  0.587518D+01
               156           157           158           159           160 
      1  -0.218354D+01  0.576074D+00 -0.374555D+01  0.542625D+01 -0.387271D+01
      2  -0.227965D+01  0.893184D+00  0.204822D+01  0.219150D-01 -0.257614D+01
      3   0.446318D+01 -0.146926D+01  0.169733D+01 -0.544816D+01  0.644885D+01
      4  -0.820051D+01  0.511307D+01 -0.528597D+01  0.567910D+01 -0.865433D+01
      5   0.138167D+02 -0.696681D+01  0.488890D+01 -0.806673D+01  0.149814D+02
      6  -0.863489D+01  0.524684D+01 -0.608132D+01  0.842927D+01 -0.100748D+02
               161           162           163           164           165 
      1   0.812156D+01 -0.153344D+02  0.758044D+01  0.528361D+00 -0.699015D+01
      2  -0.378174D+01 -0.281444D+01 -0.761083D+01 -0.739244D+00  0.618541D+01
      3  -0.433982D+01  0.181489D+02  0.303889D-01  0.210883D+00  0.804746D+00
      4   0.726567D+01 -0.104349D+02 -0.165966D+01  0.682354D+01  0.389532D+01
      5  -0.753145D+01  0.198984D+02 -0.130446D+02  0.252703D+01  0.143208D+02
      6   0.115267D+02 -0.179532D+02  0.211131D+01 -0.131449D+01 -0.214725D+01
               166           167           168           169           170 
      1   0.814913D+01  0.196675D+01 -0.154475D+01 -0.147315D+02 -0.308332D+01
      2  -0.507956D+01 -0.744909D+00  0.130479D+01  0.133174D+02  0.589792D+00
      3  -0.306957D+01 -0.122184D+01  0.239954D+00  0.141407D+01  0.249353D+01
      4   0.734602D+01 -0.338532D+01 -0.420702D+01  0.559839D+01 -0.855527D+01
      5  -0.605825D+00 -0.450923D+01  0.114011D+01  0.216941D+02 -0.784315D+01
      6  -0.145362D+01  0.128331D+01  0.495181D+01 -0.493053D+01  0.637430D+01
               171           172           173           174           175 
      1  -0.552044D+01  0.204056D+02 -0.828504D+01  0.379805D+01 -0.148537D+02
      2  -0.134811D+02 -0.393303D+01 -0.780150D+00 -0.873292D+00 -0.229864D+01
      3   0.190016D+02 -0.164726D+02  0.906519D+01 -0.292476D+01  0.171524D+02
      4  -0.105726D+02 -0.207066D+02  0.228213D+02 -0.158156D+01  0.339230D+02
      5  -0.439289D+02  0.454942D+01 -0.369572D+00  0.475053D+01 -0.103537D+01
      6   0.117461D+02 -0.114808D+01 -0.236026D+00 -0.123339D+01  0.402132D+00
               176           177           178           179           180 
      1  -0.690598D-01  0.423864D+00  0.189704D+02  0.150708D+01  0.145237D+01
      2   0.207615D+02 -0.262103D+01 -0.581341D+01 -0.488049D+01 -0.148545D+00
      3  -0.206925D+02  0.219717D+01 -0.131569D+02  0.337340D+01 -0.130382D+01
      4  -0.504641D+02  0.599835D+01 -0.874037D+01  0.150567D+02 -0.841431D+01
      5   0.538669D+01 -0.595404D+01  0.841161D+01 -0.727950D+01  0.223293D+01
      6  -0.122928D+01  0.457147D+01 -0.320185D+01  0.521554D+01 -0.217547D+01
               181           182           183           184           185 
      1  -0.207849D+01 -0.285439D+01  0.115055D+02 -0.849381D+01 -0.110331D+02
      2  -0.258360D+01  0.593823D+00 -0.325414D+01  0.361554D+01  0.495501D+01
      3   0.466210D+01  0.226057D+01 -0.825132D+01  0.487828D+01  0.607812D+01
      4  -0.431370D+01 -0.411711D+01  0.100419D+00 -0.348507D+01  0.868752D+00
      5   0.732565D+01 -0.330757D+00 -0.239034D+01  0.837131D+00  0.451378D+01
      6   0.127169D+01 -0.718201D-01 -0.132867D+01 -0.383968D+00  0.172204D+00
               186           187           188           189           190 
      1  -0.947817D-01  0.201692D+02 -0.656355D+00 -0.223140D+02 -0.532795D+02
      2   0.950055D+00 -0.903508D+01  0.130136D+01 -0.894080D+01  0.306840D+02
      3  -0.855273D+00 -0.111342D+02 -0.645008D+00  0.312548D+02  0.225955D+02
      4   0.413847D+01  0.137939D+01  0.662636D+01 -0.196214D+01 -0.168720D+02
      5  -0.106137D+01  0.530474D+00 -0.564330D+00  0.499679D+02  0.320475D+01
      6   0.608178D+01 -0.163019D+00  0.358591D+01  0.631304D+01  0.241746D+01
               191           192           193           194           195 
      1   0.144600D+02  0.242274D+01  0.752091D+01 -0.101917D+02 -0.721848D+00
      2  -0.149418D+02 -0.110918D+01 -0.796817D+01  0.930880D+01  0.156399D+01
      3   0.481853D+00 -0.131356D+01  0.447261D+00  0.882880D+00 -0.842144D+00
      4  -0.468629D+01  0.233468D+01  0.119196D+01 -0.799601D+00  0.192841D+01
      5   0.102807D+01 -0.188821D+01  0.471010D-01  0.239121D+01  0.900190D+00
      6   0.262010D+00 -0.359085D+01  0.493420D+00  0.115348D+01  0.196938D+01
               196           197           198           199           200 
      1   0.401645D+01 -0.242178D+01 -0.536396D+01  0.247160D+01  0.158614D+01
      2  -0.145764D+01  0.310932D+01  0.213511D+01 -0.190150D+01  0.158571D+01
      3  -0.255881D+01 -0.687542D+00  0.322885D+01 -0.570102D+00 -0.317186D+01
      4   0.148128D+01  0.378492D+01  0.170461D+01  0.554999D+01  0.927800D+01
      5   0.906536D+00  0.278490D+01 -0.290026D+01 -0.972834D+01 -0.342326D+01
      6  -0.220773D+01  0.342565D+01 -0.887626D+00 -0.375523D+01 -0.191462D+01
               201           202           203           204           205 
      1  -0.654192D+01 -0.618134D+00 -0.273577D+00  0.258502D+01 -0.112872D+02
      2   0.505606D+01  0.222941D+01  0.163097D+01 -0.265480D+01  0.780975D+01
      3   0.148586D+01 -0.161127D+01 -0.135740D+01  0.697823D-01  0.347741D+01
      4  -0.531021D+01  0.606217D+01  0.621927D+01 -0.509123D+01 -0.885898D+01
      5   0.132840D+02 -0.710131D+00 -0.538558D+01  0.367294D+01  0.153952D+02
      6   0.503295D+01 -0.149767D+01 -0.328324D+01  0.753633D+01  0.695704D+01
               206           207           208           209           210 
      1   0.580150D+01 -0.692610D+01  0.140342D+02  0.905949D+01  0.562357D+01
      2  -0.579930D+01 -0.811576D+01  0.167423D+01  0.797817D+01 -0.168715D+00
      3  -0.219823D-02  0.150419D+02 -0.157084D+02 -0.170377D+02 -0.545486D+01
      4  -0.141724D+02  0.162215D+02  0.264529D+02  0.333867D+02  0.850085D+01
      5   0.141273D+02 -0.485819D+02  0.809496D+01  0.592667D+01  0.900577D+01
      6   0.124995D+02 -0.276956D+02  0.515153D+01  0.458237D+01  0.615983D+01
               211           212           213           214           215 
      1   0.929054D+01 -0.184484D+01 -0.878756D+00  0.100054D+02 -0.198288D+01
      2   0.783494D+01  0.296330D+02  0.758633D+01 -0.673373D+00  0.122877D+02
      3  -0.171255D+02 -0.277882D+02 -0.670757D+01 -0.933205D+01 -0.103049D+02
      4   0.329782D+02  0.545427D+02  0.151341D+02  0.158831D+02  0.268145D+02
      5   0.654408D+01  0.135619D+02  0.105694D+02  0.111286D+02  0.135400D+02
      6   0.544465D+01  0.119783D+02  0.980396D+01  0.738419D+01  0.118650D+02
               216           217           218           219           220 
      1   0.146775D+01  0.233158D+02  0.133689D+01 -0.187453D+02  0.391593D+01
      2   0.221862D+01 -0.138877D+02 -0.561172D+00  0.108347D+02 -0.177702D+01
      3  -0.368637D+01 -0.942812D+01 -0.775717D+00  0.791064D+01 -0.213891D+01
      4   0.155009D+02  0.206393D+01  0.804266D+01  0.303171D+00  0.137336D+02
      5   0.926997D+01 -0.198346D+02  0.686039D+00  0.225872D+02  0.283285D-01
      6   0.808060D+01 -0.358469D+00  0.198457D+00  0.392146D+00 -0.937102D+00
               221           222           223           224           225 
      1   0.940334D+01  0.558544D+00 -0.484129D+02  0.188225D+01  0.278424D+02
      2  -0.472677D+01 -0.544349D+00  0.285640D+02 -0.154235D+01 -0.231928D+02
      3  -0.467656D+01 -0.141954D-01  0.198489D+02 -0.339904D+00 -0.464966D+01
      4  -0.157918D+01 -0.480482D+01  0.195739D+00 -0.113059D+02  0.769646D+00
      5  -0.458731D+01  0.136419D+01  0.418069D+02 -0.141767D+00 -0.689925D+02
      6  -0.549967D+00  0.400717D+01  0.147427D+01  0.409669D+01 -0.198571D+01
               226           227           228           229           230 
      1   0.231492D+02 -0.193739D+02  0.967708D+01 -0.430639D+02  0.286119D+02
      2  -0.109700D+02  0.910864D+01 -0.509026D+01  0.207854D+02 -0.867157D+01
      3  -0.121792D+02  0.102652D+02 -0.458682D+01  0.222785D+02 -0.199403D+02
      4  -0.200665D+02  0.226715D+02 -0.627724D+01  0.397896D+02 -0.630308D+02
      5   0.111674D+02 -0.695821D+01  0.109820D+02 -0.135131D+02  0.223767D+02
      6  -0.228084D+01  0.178751D+01 -0.880140D+00  0.400257D+01 -0.677484D+01
               231           232           233           234           235 
      1  -0.812437D+01  0.204220D+02 -0.708999D+01  0.125239D+02  0.563917D+02
      2   0.483153D+01 -0.112060D+02  0.425900D+01 -0.880157D+01 -0.272599D+02
      3   0.329284D+01 -0.921599D+01  0.283099D+01 -0.372231D+01 -0.291318D+02
      4   0.210768D+02 -0.108601D+02  0.233057D+02 -0.135278D+02  0.318612D+02
      5  -0.186872D+02  0.195131D+02 -0.146473D+02  0.124547D+02  0.235531D+02
      6   0.555272D+01 -0.214871D+01  0.577467D+01 -0.396031D+01  0.486434D+01
               236           237           238           239           240 
      1   0.266268D+02  0.188680D+02  0.555951D+02  0.281719D+02  0.128789D+02
      2  -0.119083D+02 -0.100289D+02 -0.250632D+02 -0.816571D+01 -0.650215D+01
      3  -0.147186D+02 -0.883905D+01 -0.305319D+02 -0.200062D+02 -0.637674D+01
      4   0.266673D+02  0.114413D+02  0.431811D+02  0.404389D+02  0.203179D+02
      5   0.118010D+02  0.196534D+02  0.206282D+02  0.207979D+02  0.200398D+02
      6   0.303610D+01  0.279895D+01  0.625267D+01  0.669002D+01  0.608447D+01
               241           242           243           244           245 
      1   0.361697D+02  0.112172D+02  0.199282D+02  0.508035D+00  0.320199D+01
      2  -0.193686D+02 -0.538896D+01 -0.130240D+02 -0.381930D+01 -0.142487D+01
      3  -0.168011D+02 -0.582827D+01 -0.690416D+01  0.331127D+01 -0.177712D+01
      4   0.180889D+02  0.228497D+02  0.153000D+02  0.585368D+01  0.545827D+01
      5   0.307823D+02  0.157602D+02  0.199259D+02 -0.118811D+02 -0.137349D+01
      6   0.532216D+01  0.615724D+01  0.556282D+01 -0.360637D+01 -0.384004D+00
               246           247           248           249           250 
      1  -0.685290D+01  0.388723D+01  0.348413D+00  0.209929D+01 -0.887192D+01
      2   0.524615D+01 -0.157524D+01 -0.169429D+00 -0.508272D+00  0.878126D+01
      3   0.160675D+01 -0.231199D+01 -0.178984D+00 -0.159102D+01  0.906574D-01
      4  -0.240114D+01  0.906753D+01  0.465453D+01 -0.712022D+01 -0.444671D+01
      5   0.119118D+02 -0.211388D+01 -0.717083D+01  0.845871D+01  0.171002D+02
      6   0.209800D+01 -0.166645D+01 -0.385879D+01  0.666385D+01  0.319765D+01
               251           252           253           254           255 
      1   0.233884D+01 -0.542127D+01 -0.805181D+02 -0.126889D+02  0.806932D+01
      2   0.351597D+00 -0.126893D+02  0.402470D+02  0.159610D+02 -0.525972D+01
      3  -0.269044D+01  0.181106D+02  0.402711D+02 -0.327210D+01 -0.280960D+01
      4  -0.107509D+02  0.907857D+01 -0.189779D+02  0.235326D+02  0.781783D+01
      5   0.767594D+01 -0.408869D+02  0.100209D+02  0.449538D+01  0.972220D+01
      6   0.618575D+01 -0.116126D+02  0.787090D+01  0.378419D+01  0.399300D+01
               256           257           258           259           260 
      1   0.946585D+01  0.352397D+02  0.686261D-01  0.255032D+02  0.131961D+01
      2   0.296535D+01 -0.350337D+02  0.434326D+00 -0.898622D+01  0.417798D+01
      3  -0.124312D+02 -0.206040D+00 -0.502952D+00 -0.165170D+02 -0.549759D+01
      4   0.335933D+02 -0.132757D+02  0.115959D+02  0.201433D+02  0.190511D+02
      5   0.104948D+02  0.143751D+02  0.124952D+02  0.152660D+02  0.111548D+02
      6   0.691761D+01  0.479835D+01  0.672109D+01  0.774078D+01  0.727173D+01
               261           262           263           264           265 
      1   0.129660D+02  0.445286D+01 -0.690417D+01 -0.139298D+01 -0.458722D+01
      2   0.598667D+01  0.328753D+01 -0.324920D+01 -0.245032D+00 -0.779044D+01
      3  -0.189527D+02 -0.774039D+01  0.101534D+02  0.163801D+01  0.123777D+02
      4   0.146208D+02 -0.139440D+02  0.204448D+02  0.400950D+01  0.255446D+02
      5  -0.263450D+02 -0.476103D+01  0.534691D+01  0.365739D+01  0.637424D+01
      6  -0.845033D+01  0.328204D+01 -0.393647D+01 -0.162257D+01 -0.523004D+01
               266           267           268           269           270 
      1  -0.105578D+02 -0.308737D+01  0.619890D+00 -0.833151D-01 -0.160343D+01
      2   0.379340D+02  0.488863D+01  0.250919D+01 -0.735329D+01  0.169482D+01
      3  -0.273762D+02 -0.180126D+01 -0.312908D+01  0.743661D+01 -0.913843D-01
      4  -0.630212D+02 -0.117824D+02 -0.443757D+01  0.106224D+02 -0.339101D+01
      5  -0.139539D+02 -0.109530D+02  0.183153D+01 -0.314374D+01 -0.290812D+01
      6   0.165246D+02  0.826796D+01 -0.103701D+01  0.360053D+01  0.191600D+01
               271           272           273           274           275 
      1   0.125148D+03  0.135673D+02 -0.407226D+01 -0.198582D+01  0.694588D+01
      2  -0.582082D+02 -0.224203D+01  0.154560D+01  0.411918D+01 -0.836445D-01
      3  -0.669394D+02 -0.113253D+02  0.252666D+01 -0.213336D+01 -0.686223D+01
      4   0.483615D+02  0.206080D+02  0.145333D+00  0.129355D+02  0.652232D+01
      5   0.397763D+01  0.153350D+01  0.130706D+02 -0.799298D+00 -0.176943D+01
      6  -0.731232D+00  0.134120D+01  0.413605D+01  0.626474D-01 -0.225187D+00
               276           277           278           279           280 
      1   0.177625D+00 -0.162502D+02 -0.161571D+01  0.929618D+01 -0.449803D+00
      2  -0.356312D+00  0.673597D+01 -0.779756D+00 -0.653924D+01  0.360518D+01
      3   0.178687D+00  0.951428D+01  0.239546D+01 -0.275695D+01 -0.315538D+01
      4  -0.199877D+01 -0.797998D+01 -0.564251D+01  0.258224D+01  0.320039D+01
      5  -0.116954D+01  0.131502D+02  0.591877D+00 -0.705714D+00 -0.236715D+01
      6   0.830926D-01  0.371256D+01  0.828679D+00 -0.267114D+00 -0.936857D+00
               281           282           283           284           285 
      1   0.144690D+02 -0.128673D+01  0.116338D+02 -0.327222D+02 -0.133776D+00
      2  -0.156735D+02  0.967120D+00 -0.544052D+01  0.530213D+02 -0.102415D+01
      3   0.120452D+01  0.319610D+00 -0.619325D+01 -0.202991D+02  0.115792D+01
      4  -0.820893D+01 -0.193445D+01  0.880621D+01  0.504265D+02 -0.475306D+00
      5  -0.850507D-01 -0.283427D+01  0.133096D+01 -0.300481D+01  0.596660D+01
      6  -0.149587D+01 -0.253451D+01 -0.643455D-01  0.406275D+01  0.670112D+01
               286           287           288           289           290 
      1  -0.526549D+01  0.191595D+01 -0.578196D+01  0.523977D+01  0.104774D+01
      2   0.173076D+01 -0.553630D+01  0.450692D+01 -0.552726D+01 -0.193542D+01
      3   0.353472D+01  0.362035D+01  0.127504D+01  0.287497D+00  0.887682D+00
      4  -0.448610D+01 -0.889407D+01  0.341609D+01 -0.471491D+00 -0.292401D+01
      5  -0.158501D+00  0.469267D+01  0.241173D+00  0.364539D+01 -0.124967D+01
      6  -0.721755D+00  0.628786D+01 -0.653217D+00  0.324612D+00 -0.147692D+01
               291           292           293           294           295 
      1   0.587642D+01 -0.544322D+01 -0.589941D+01 -0.639998D+00  0.112140D+02
      2  -0.234378D+01  0.197720D+01  0.306139D+01  0.308846D+01 -0.672921D+01
      3  -0.353264D+01  0.346602D+01  0.283802D+01 -0.244846D+01 -0.448476D+01
      4   0.248943D+00 -0.369848D+01 -0.298696D+01  0.238120D+01  0.639010D+01
      5   0.600938D+00 -0.255988D+01  0.218411D+01 -0.530595D+01  0.102581D+02
      6  -0.113985D+01 -0.898918D+00  0.414837D-02  0.144792D+01  0.235151D+01
               296           297 
      1  -0.125545D+01 -0.117321D+02
      2   0.352447D+01 -0.130051D+02
      3  -0.226903D+01  0.247372D+02
      4   0.100677D+02  0.938226D+00
      5   0.197006D+01  0.441327D+02
      6   0.501861D+01  0.176701D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 10:45:41 2021, MaxMem=  6442450944 cpu:           29203.5 elap:            3659.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31884 -19.26161 -10.44068 -10.32585 -10.31559
 Alpha  occ. eigenvalues --  -10.30898 -10.30437 -10.30351 -10.30200 -10.30165
 Alpha  occ. eigenvalues --  -10.30098 -10.29742 -10.29557 -10.28643 -10.28228
 Alpha  occ. eigenvalues --   -1.20947  -1.11660  -0.96766  -0.92105  -0.89525
 Alpha  occ. eigenvalues --   -0.84364  -0.84008  -0.77894  -0.77589  -0.76460
 Alpha  occ. eigenvalues --   -0.70866  -0.69522  -0.66524  -0.65115  -0.60893
 Alpha  occ. eigenvalues --   -0.59681  -0.57978  -0.56807  -0.55108  -0.54075
 Alpha  occ. eigenvalues --   -0.53434  -0.52992  -0.51970  -0.50968  -0.50583
 Alpha  occ. eigenvalues --   -0.49559  -0.47775  -0.46945  -0.46639  -0.45440
 Alpha  occ. eigenvalues --   -0.45215  -0.44695  -0.43075  -0.42402  -0.41860
 Alpha  occ. eigenvalues --   -0.41494  -0.40793  -0.40497  -0.37283  -0.33585
 Alpha  occ. eigenvalues --   -0.31843
 Alpha virt. eigenvalues --    0.04525   0.04971   0.07587   0.08144   0.08929
 Alpha virt. eigenvalues --    0.09963   0.10527   0.11212   0.11831   0.12410
 Alpha virt. eigenvalues --    0.13476   0.13962   0.15188   0.15340   0.15937
 Alpha virt. eigenvalues --    0.16452   0.16665   0.16821   0.18102   0.18505
 Alpha virt. eigenvalues --    0.18981   0.19770   0.20009   0.20147   0.20931
 Alpha virt. eigenvalues --    0.21412   0.21717   0.21971   0.22258   0.22882
 Alpha virt. eigenvalues --    0.22968   0.23112   0.24180   0.24625   0.25135
 Alpha virt. eigenvalues --    0.25437   0.25775   0.26408   0.27271   0.27759
 Alpha virt. eigenvalues --    0.28182   0.28742   0.29563   0.29841   0.30282
 Alpha virt. eigenvalues --    0.30923   0.31504   0.31578   0.31924   0.32367
 Alpha virt. eigenvalues --    0.32936   0.33357   0.34336   0.34596   0.35275
 Alpha virt. eigenvalues --    0.35627   0.36106   0.36335   0.37091   0.37440
 Alpha virt. eigenvalues --    0.37674   0.38164   0.38461   0.39072   0.39287
 Alpha virt. eigenvalues --    0.39516   0.39553   0.39664   0.40298   0.40626
 Alpha virt. eigenvalues --    0.41285   0.41623   0.42185   0.42424   0.42617
 Alpha virt. eigenvalues --    0.42752   0.43196   0.43394   0.43969   0.44093
 Alpha virt. eigenvalues --    0.44552   0.44709   0.45094   0.45362   0.45956
 Alpha virt. eigenvalues --    0.46034   0.46254   0.46432   0.46793   0.47106
 Alpha virt. eigenvalues --    0.47604   0.47798   0.48282   0.48990   0.49781
 Alpha virt. eigenvalues --    0.49988   0.50362   0.50566   0.50958   0.51571
 Alpha virt. eigenvalues --    0.51721   0.52130   0.52650   0.52745   0.53203
 Alpha virt. eigenvalues --    0.53486   0.53725   0.54444   0.54584   0.54654
 Alpha virt. eigenvalues --    0.55291   0.55725   0.56182   0.56710   0.56947
 Alpha virt. eigenvalues --    0.57739   0.58019   0.58340   0.58813   0.59208
 Alpha virt. eigenvalues --    0.59388   0.59820   0.60073   0.60655   0.61029
 Alpha virt. eigenvalues --    0.61823   0.61981   0.62392   0.62800   0.63519
 Alpha virt. eigenvalues --    0.63943   0.64253   0.65120   0.65198   0.65727
 Alpha virt. eigenvalues --    0.65979   0.66430   0.66801   0.66968   0.68230
 Alpha virt. eigenvalues --    0.68517   0.68997   0.69313   0.70157   0.70408
 Alpha virt. eigenvalues --    0.70641   0.70958   0.71641   0.71781   0.72426
 Alpha virt. eigenvalues --    0.72755   0.73456   0.74821   0.74944   0.75637
 Alpha virt. eigenvalues --    0.76257   0.76883   0.77533   0.77592   0.77978
 Alpha virt. eigenvalues --    0.78574   0.79859   0.80063   0.80372   0.80806
 Alpha virt. eigenvalues --    0.81188   0.82867   0.82973   0.83733   0.84690
 Alpha virt. eigenvalues --    0.85131   0.86173   0.86476   0.86822   0.88073
 Alpha virt. eigenvalues --    0.88724   0.89422   0.89985   0.90779   0.91855
 Alpha virt. eigenvalues --    0.92575   0.93248   0.94679   0.95380   0.97077
 Alpha virt. eigenvalues --    0.97704   0.98259   0.99689   1.00642   1.01367
 Alpha virt. eigenvalues --    1.02514   1.02949   1.03960   1.05954   1.06527
 Alpha virt. eigenvalues --    1.07649   1.07859   1.08322   1.08458   1.09959
 Alpha virt. eigenvalues --    1.10559   1.10989   1.11417   1.11979   1.12953
 Alpha virt. eigenvalues --    1.13107   1.13657   1.14923   1.15324   1.15526
 Alpha virt. eigenvalues --    1.16481   1.17463   1.17966   1.19073   1.20995
 Alpha virt. eigenvalues --    1.22638   1.23816   1.24807   1.26136   1.26509
 Alpha virt. eigenvalues --    1.27809   1.28185   1.28335   1.30127   1.30944
 Alpha virt. eigenvalues --    1.32400   1.32636   1.34421   1.35200   1.35532
 Alpha virt. eigenvalues --    1.36085   1.37403   1.38023   1.39635   1.40687
 Alpha virt. eigenvalues --    1.41453   1.41826   1.44503   1.44951   1.45158
 Alpha virt. eigenvalues --    1.45832   1.48037   1.48339   1.49051   1.51162
 Alpha virt. eigenvalues --    1.52233   1.52417   1.54725   1.54986   1.56549
 Alpha virt. eigenvalues --    1.58331   1.60143   1.61503   1.62861   1.64981
 Alpha virt. eigenvalues --    1.65061   1.68417   1.69350   1.69524   1.70694
 Alpha virt. eigenvalues --    1.72357   1.73347   1.74651   1.76319   1.77274
 Alpha virt. eigenvalues --    1.77670   1.79263   1.80917   1.81029   1.82995
 Alpha virt. eigenvalues --    1.83643   1.84758   1.84915   1.85398   1.87646
 Alpha virt. eigenvalues --    1.87986   1.89231   1.90776   1.91449   1.92707
 Alpha virt. eigenvalues --    1.93806   1.94231   1.95107   1.97120   1.97289
 Alpha virt. eigenvalues --    1.98625   1.98905   1.99364   2.00698   2.01238
 Alpha virt. eigenvalues --    2.02244   2.03082   2.04250   2.05601   2.05782
 Alpha virt. eigenvalues --    2.07296   2.09634   2.10466   2.11025   2.11442
 Alpha virt. eigenvalues --    2.11978   2.14075   2.14487   2.15192   2.16508
 Alpha virt. eigenvalues --    2.17655   2.18316   2.18766   2.19587   2.20189
 Alpha virt. eigenvalues --    2.21849   2.22588   2.22807   2.25040   2.25899
 Alpha virt. eigenvalues --    2.27359   2.27914   2.28838   2.29989   2.30472
 Alpha virt. eigenvalues --    2.31364   2.32217   2.33598   2.35154   2.36600
 Alpha virt. eigenvalues --    2.37564   2.39711   2.40426   2.41633   2.44046
 Alpha virt. eigenvalues --    2.45083   2.47169   2.48863   2.49920   2.52017
 Alpha virt. eigenvalues --    2.52273   2.52928   2.54102   2.56836   2.57765
 Alpha virt. eigenvalues --    2.59035   2.60021   2.62769   2.64734   2.65606
 Alpha virt. eigenvalues --    2.66488   2.69108   2.70296   2.71346   2.73663
 Alpha virt. eigenvalues --    2.74301   2.75827   2.76163   2.78023   2.78709
 Alpha virt. eigenvalues --    2.79677   2.80372   2.81967   2.82663   2.90507
 Alpha virt. eigenvalues --    2.93433   2.95438   2.95829   2.98715   3.02053
 Alpha virt. eigenvalues --    3.03015   3.03776   3.05192   3.08484   3.09454
 Alpha virt. eigenvalues --    3.10783   3.12619   3.13924   3.14376   3.15670
 Alpha virt. eigenvalues --    3.16846   3.19371   3.22246   3.23021   3.24866
 Alpha virt. eigenvalues --    3.25960   3.26622   3.28087   3.30324   3.31668
 Alpha virt. eigenvalues --    3.32824   3.35619   3.36909   3.45617   3.47861
 Alpha virt. eigenvalues --    3.72110   3.75929   3.91671   4.04411
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    8.387066  -1.024399  -1.072570   0.562554   0.254229  -0.013286
     2  C   -1.024399  12.425958   0.597585  -0.858666   0.764529  -1.673297
     3  C   -1.072570   0.597585   8.712193  -1.312964  -0.142177   0.218632
     4  C    0.562554  -0.858666  -1.312964  12.385756  -1.488766   0.977221
     5  C    0.254229   0.764529  -0.142177  -1.488766   9.462956  -1.413580
     6  C   -0.013286  -1.673297   0.218632   0.977221  -1.413580   9.002132
     7  C   -0.898491   0.236264  -0.026068   0.138124   0.031847  -0.934440
     8  C   -0.008762   0.004907  -0.005440   0.001338   0.005356  -0.010233
     9  C    0.026692  -0.051182  -0.005353  -0.003351   0.003315  -0.009368
    10  C   -0.008766  -0.017064   0.000264  -0.000021  -0.001039  -0.000791
    11  C   -0.011775   0.125805  -0.850606   0.364488  -1.017507   0.041999
    12  C    0.006983   0.005803  -0.211094   0.132311  -0.142142   0.003159
    13  O    0.005300   0.001555   0.022377  -0.084504   0.024032   0.001017
    14  O   -0.001571   0.000586   0.010953  -0.016820   0.012475  -0.002231
    15  H    0.375959  -1.467572  -0.612351  -0.002657   0.134301   0.120030
    16  H   -0.442083  -0.079539   0.521089  -1.498511   0.082181   0.122850
    17  H    0.158478  -0.039041   0.112699  -1.552319   0.560478  -0.594280
    18  H    0.059065  -1.394104   0.157407  -0.008620  -0.719597   0.605530
    19  H   -0.075186  -0.168127   0.027322   0.005611   0.007134   0.074789
    20  H    0.110035  -0.069638  -0.002358  -0.009748  -0.010429   0.039061
    21  H   -0.044925   0.005738   0.001146  -0.000236   0.010126  -0.112347
    22  H    0.015076   0.011427  -0.004238  -0.004170   0.002190   0.027117
    23  H    0.004703  -0.023477   0.000868   0.000305  -0.000298  -0.001341
    24  H   -0.011676   0.009932   0.001690   0.000436   0.000120  -0.008679
    25  H    0.000970   0.003409  -0.000141  -0.000028   0.000085  -0.002576
    26  H   -0.002447   0.000522   0.000089  -0.000020  -0.000121   0.000010
    27  H    0.001410   0.004753  -0.000023  -0.000009  -0.000060   0.001616
    28  H    0.013456  -0.001316   0.094466  -0.260907  -0.073606   0.014956
    29  C   -0.007921   0.005496  -0.049069  -0.024254  -0.023765   0.001562
    30  H   -0.000134  -0.000402  -0.002399   0.002642   0.000035  -0.000190
    31  H   -0.001084  -0.000192   0.000465   0.004942  -0.011160   0.000145
    32  H    0.000856   0.002418  -0.005335  -0.055060   0.030039  -0.003777
    33  H    0.005160   0.001033  -0.011274  -0.016712  -0.004600   0.000233
               7          8          9         10         11         12
     1  C   -0.898491  -0.008762   0.026692  -0.008766  -0.011775   0.006983
     2  C    0.236264   0.004907  -0.051182  -0.017064   0.125805   0.005803
     3  C   -0.026068  -0.005440  -0.005353   0.000264  -0.850606  -0.211094
     4  C    0.138124   0.001338  -0.003351  -0.000021   0.364488   0.132311
     5  C    0.031847   0.005356   0.003315  -0.001039  -1.017507  -0.142142
     6  C   -0.934440  -0.010233  -0.009368  -0.000791   0.041999   0.003159
     7  C    6.898258   0.213834  -0.048571  -0.010085  -0.001845  -0.000266
     8  C    0.213834   5.973683   0.434160   0.333496  -0.000918  -0.000105
     9  C   -0.048571   0.434160   4.149910  -0.039059   0.000082  -0.000026
    10  C   -0.010085   0.333496  -0.039059   4.307972   0.000011   0.000001
    11  C   -0.001845  -0.000918   0.000082   0.000011   7.525941   0.393682
    12  C   -0.000266  -0.000105  -0.000026   0.000001   0.393682   4.927772
    13  O   -0.000041   0.000046   0.000008  -0.000000  -0.105266   0.209213
    14  O    0.000021   0.000046  -0.000125  -0.000001  -0.057056  -0.073758
    15  H   -0.351828  -0.005904   0.028334  -0.003602  -0.003390   0.008807
    16  H    0.007930   0.000544  -0.001457   0.000029  -0.300624  -0.062002
    17  H    0.008404   0.002573  -0.000402  -0.000098  -0.422449  -0.077531
    18  H   -0.420271   0.001209   0.000382   0.004868   0.020080   0.003236
    19  H    0.121242   0.027181  -0.015118   0.015311   0.000041   0.000009
    20  H    0.032812   0.049098   0.011019  -0.080251  -0.000102  -0.000014
    21  H    0.108282   0.128448   0.013777  -0.050057  -0.000035  -0.000045
    22  H   -0.117267   0.121755   0.239310   0.006745  -0.000236   0.000115
    23  H   -0.029367   0.110255   0.203685  -0.007011   0.000033   0.000005
    24  H    0.046980   0.109382   0.196999  -0.010572   0.000018  -0.000013
    25  H    0.000627   0.165358  -0.007934   0.122784  -0.000000   0.000000
    26  H   -0.004017  -0.023131   0.005154   0.392133   0.000001  -0.000000
    27  H    0.006971   0.129999  -0.014925   0.208207  -0.000001   0.000000
    28  H    0.000063  -0.000057  -0.000003   0.000000   0.154566  -0.180458
    29  C   -0.000155   0.000031  -0.000009  -0.000000   0.387779   0.003716
    30  H    0.000000  -0.000001   0.000004   0.000000   0.008183   0.144546
    31  H   -0.000000  -0.000000   0.000000   0.000000   0.148607  -0.006464
    32  H   -0.000005   0.000005  -0.000000  -0.000000   0.135402   0.010155
    33  H    0.000003  -0.000005  -0.000000   0.000000   0.091614  -0.001687
              13         14         15         16         17         18
     1  C    0.005300  -0.001571   0.375959  -0.442083   0.158478   0.059065
     2  C    0.001555   0.000586  -1.467572  -0.079539  -0.039041  -1.394104
     3  C    0.022377   0.010953  -0.612351   0.521089   0.112699   0.157407
     4  C   -0.084504  -0.016820  -0.002657  -1.498511  -1.552319  -0.008620
     5  C    0.024032   0.012475   0.134301   0.082181   0.560478  -0.719597
     6  C    0.001017  -0.002231   0.120030   0.122850  -0.594280   0.605530
     7  C   -0.000041   0.000021  -0.351828   0.007930   0.008404  -0.420271
     8  C    0.000046   0.000046  -0.005904   0.000544   0.002573   0.001209
     9  C    0.000008  -0.000125   0.028334  -0.001457  -0.000402   0.000382
    10  C   -0.000000  -0.000001  -0.003602   0.000029  -0.000098   0.004868
    11  C   -0.105266  -0.057056  -0.003390  -0.300624  -0.422449   0.020080
    12  C    0.209213  -0.073758   0.008807  -0.062002  -0.077531   0.003236
    13  O    8.417498   0.010404  -0.001226   0.033352   0.008497  -0.000287
    14  O    0.010404   8.401964  -0.000857   0.007086  -0.000075  -0.000263
    15  H   -0.001226  -0.000857   3.052676  -0.769774  -0.021855   0.062779
    16  H    0.033352   0.007086  -0.769774   2.787828   0.058448  -0.019158
    17  H    0.008497  -0.000075  -0.021855   0.058448   2.930003  -0.821326
    18  H   -0.000287  -0.000263   0.062779  -0.019158  -0.821326   3.073649
    19  H   -0.000009  -0.000005  -0.029903   0.001309  -0.000126   0.021509
    20  H    0.000001   0.000015   0.019138  -0.000353  -0.003384   0.036003
    21  H    0.000003   0.000014  -0.012166   0.000509   0.001837  -0.085166
    22  H    0.000027   0.000112   0.011685   0.000455  -0.000010   0.005799
    23  H    0.000000  -0.000012  -0.006786   0.000171  -0.000002   0.000101
    24  H    0.000000  -0.000010  -0.005293   0.000109   0.000045  -0.001282
    25  H   -0.000000   0.000000   0.000216   0.000000   0.000002  -0.000788
    26  H    0.000000  -0.000000  -0.000227  -0.000000  -0.000003   0.000961
    27  H   -0.000000   0.000000   0.000272  -0.000002  -0.000005   0.000956
    28  H    0.011666  -0.059895  -0.000364   0.012162   0.042591  -0.002490
    29  C    0.006626   0.025680   0.001640   0.003900  -0.040796   0.001832
    30  H   -0.065522   0.139952   0.000013   0.000288   0.000168  -0.000006
    31  H   -0.002525   0.002404  -0.000057   0.003274  -0.004160   0.000034
    32  H    0.004079   0.000005   0.000509  -0.012197   0.013217  -0.000523
    33  H    0.012963   0.000466   0.001089  -0.007225  -0.001246   0.000112
              19         20         21         22         23         24
     1  C   -0.075186   0.110035  -0.044925   0.015076   0.004703  -0.011676
     2  C   -0.168127  -0.069638   0.005738   0.011427  -0.023477   0.009932
     3  C    0.027322  -0.002358   0.001146  -0.004238   0.000868   0.001690
     4  C    0.005611  -0.009748  -0.000236  -0.004170   0.000305   0.000436
     5  C    0.007134  -0.010429   0.010126   0.002190  -0.000298   0.000120
     6  C    0.074789   0.039061  -0.112347   0.027117  -0.001341  -0.008679
     7  C    0.121242   0.032812   0.108282  -0.117267  -0.029367   0.046980
     8  C    0.027181   0.049098   0.128448   0.121755   0.110255   0.109382
     9  C   -0.015118   0.011019   0.013777   0.239310   0.203685   0.196999
    10  C    0.015311  -0.080251  -0.050057   0.006745  -0.007011  -0.010572
    11  C    0.000041  -0.000102  -0.000035  -0.000236   0.000033   0.000018
    12  C    0.000009  -0.000014  -0.000045   0.000115   0.000005  -0.000013
    13  O   -0.000009   0.000001   0.000003   0.000027   0.000000   0.000000
    14  O   -0.000005   0.000015   0.000014   0.000112  -0.000012  -0.000010
    15  H   -0.029903   0.019138  -0.012166   0.011685  -0.006786  -0.005293
    16  H    0.001309  -0.000353   0.000509   0.000455   0.000171   0.000109
    17  H   -0.000126  -0.003384   0.001837  -0.000010  -0.000002   0.000045
    18  H    0.021509   0.036003  -0.085166   0.005799   0.000101  -0.001282
    19  H    1.054470  -0.263910  -0.034175  -0.001484   0.037053  -0.001186
    20  H   -0.263910   1.003951   0.079412  -0.001790  -0.007927  -0.002267
    21  H   -0.034175   0.079412   1.217867  -0.039479  -0.013939   0.051442
    22  H   -0.001484  -0.001790  -0.039479   0.804753   0.007797  -0.105769
    23  H    0.037053  -0.007927  -0.013939   0.007797   0.645916  -0.049951
    24  H   -0.001186  -0.002267   0.051442  -0.105769  -0.049951   0.865201
    25  H   -0.036062   0.007584  -0.001768  -0.000289   0.011478  -0.017626
    26  H    0.001887  -0.025435  -0.008495  -0.002479  -0.002145   0.007618
    27  H    0.001383   0.008554   0.024283   0.003187  -0.009861   0.009701
    28  H    0.000010  -0.000005   0.000001  -0.000009   0.000000  -0.000000
    29  C   -0.000019   0.000026  -0.000001   0.000009  -0.000002  -0.000000
    30  H    0.000000  -0.000000   0.000000  -0.000013   0.000000   0.000000
    31  H    0.000000  -0.000000  -0.000000  -0.000000   0.000000   0.000000
    32  H   -0.000001  -0.000002   0.000000   0.000001  -0.000000  -0.000000
    33  H   -0.000004   0.000002  -0.000000   0.000000  -0.000000  -0.000000
              25         26         27         28         29         30
     1  C    0.000970  -0.002447   0.001410   0.013456  -0.007921  -0.000134
     2  C    0.003409   0.000522   0.004753  -0.001316   0.005496  -0.000402
     3  C   -0.000141   0.000089  -0.000023   0.094466  -0.049069  -0.002399
     4  C   -0.000028  -0.000020  -0.000009  -0.260907  -0.024254   0.002642
     5  C    0.000085  -0.000121  -0.000060  -0.073606  -0.023765   0.000035
     6  C   -0.002576   0.000010   0.001616   0.014956   0.001562  -0.000190
     7  C    0.000627  -0.004017   0.006971   0.000063  -0.000155   0.000000
     8  C    0.165358  -0.023131   0.129999  -0.000057   0.000031  -0.000001
     9  C   -0.007934   0.005154  -0.014925  -0.000003  -0.000009   0.000004
    10  C    0.122784   0.392133   0.208207   0.000000  -0.000000   0.000000
    11  C   -0.000000   0.000001  -0.000001   0.154566   0.387779   0.008183
    12  C    0.000000  -0.000000   0.000000  -0.180458   0.003716   0.144546
    13  O   -0.000000   0.000000  -0.000000   0.011666   0.006626  -0.065522
    14  O    0.000000  -0.000000   0.000000  -0.059895   0.025680   0.139952
    15  H    0.000216  -0.000227   0.000272  -0.000364   0.001640   0.000013
    16  H    0.000000  -0.000000  -0.000002   0.012162   0.003900   0.000288
    17  H    0.000002  -0.000003  -0.000005   0.042591  -0.040796   0.000168
    18  H   -0.000788   0.000961   0.000956  -0.002490   0.001832  -0.000006
    19  H   -0.036062   0.001887   0.001383   0.000010  -0.000019   0.000000
    20  H    0.007584  -0.025435   0.008554  -0.000005   0.000026  -0.000000
    21  H   -0.001768  -0.008495   0.024283   0.000001  -0.000001   0.000000
    22  H   -0.000289  -0.002479   0.003187  -0.000009   0.000009  -0.000013
    23  H    0.011478  -0.002145  -0.009861   0.000000  -0.000002   0.000000
    24  H   -0.017626   0.007618   0.009701  -0.000000  -0.000000   0.000000
    25  H    0.732102  -0.084735  -0.004464  -0.000000   0.000000   0.000000
    26  H   -0.084735   0.727233  -0.025565   0.000000  -0.000000   0.000000
    27  H   -0.004464  -0.025565   0.711641  -0.000000   0.000000   0.000000
    28  H   -0.000000   0.000000  -0.000000   1.310260  -0.201267  -0.006956
    29  C    0.000000  -0.000000   0.000000  -0.201267   4.287205   0.001596
    30  H    0.000000   0.000000   0.000000  -0.006956   0.001596   0.591936
    31  H    0.000000   0.000000  -0.000000  -0.004245   0.207971   0.000336
    32  H   -0.000000  -0.000000   0.000000   0.030643   0.182229  -0.000246
    33  H    0.000000   0.000000   0.000000  -0.003655   0.301315  -0.000143
              31         32         33
     1  C   -0.001084   0.000856   0.005160
     2  C   -0.000192   0.002418   0.001033
     3  C    0.000465  -0.005335  -0.011274
     4  C    0.004942  -0.055060  -0.016712
     5  C   -0.011160   0.030039  -0.004600
     6  C    0.000145  -0.003777   0.000233
     7  C   -0.000000  -0.000005   0.000003
     8  C   -0.000000   0.000005  -0.000005
     9  C    0.000000  -0.000000  -0.000000
    10  C    0.000000  -0.000000   0.000000
    11  C    0.148607   0.135402   0.091614
    12  C   -0.006464   0.010155  -0.001687
    13  O   -0.002525   0.004079   0.012963
    14  O    0.002404   0.000005   0.000466
    15  H   -0.000057   0.000509   0.001089
    16  H    0.003274  -0.012197  -0.007225
    17  H   -0.004160   0.013217  -0.001246
    18  H    0.000034  -0.000523   0.000112
    19  H    0.000000  -0.000001  -0.000004
    20  H   -0.000000  -0.000002   0.000002
    21  H   -0.000000   0.000000  -0.000000
    22  H   -0.000000   0.000001   0.000000
    23  H    0.000000  -0.000000  -0.000000
    24  H    0.000000  -0.000000  -0.000000
    25  H    0.000000  -0.000000   0.000000
    26  H    0.000000  -0.000000   0.000000
    27  H   -0.000000   0.000000   0.000000
    28  H   -0.004245   0.030643  -0.003655
    29  C    0.207971   0.182229   0.301315
    30  H    0.000336  -0.000246  -0.000143
    31  H    0.597429  -0.052076   0.018489
    32  H   -0.052076   0.709804  -0.001461
    33  H    0.018489  -0.001461   0.579166
 Mulliken charges:
               1
     1  C   -0.362917
     2  C   -1.339704
     3  C   -0.165784
     4  C   -1.377386
     5  C   -0.336581
     6  C   -0.471646
     7  C    0.991055
     8  C   -1.758149
     9  C    0.884054
    10  C    0.836597
    11  C   -0.626522
    12  C    0.906090
    13  O   -0.509285
    14  O   -0.399507
    15  H    0.478366
    16  H    0.549414
    17  H    0.681667
    18  H    0.418366
    19  H    0.229054
    20  H    0.080904
    21  H   -0.240051
    22  H    0.019673
    23  H    0.129747
    24  H   -0.085347
    25  H    0.111793
    26  H    0.043211
    27  H   -0.058019
    28  H    0.110394
    29  C    0.928645
    30  H    0.186313
    31  H    0.097867
    32  H    0.011322
    33  H    0.036365
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.115449
     2  C   -1.339704
     3  C    0.383630
     4  C   -1.377386
     5  C    0.345086
     6  C   -0.053280
     7  C    1.301013
     8  C   -1.998199
     9  C    0.948127
    10  C    0.933582
    11  C   -0.516129
    12  C    0.906090
    13  O   -0.509285
    14  O   -0.213194
    29  C    1.074200
 Electronic spatial extent (au):  <R**2>=           4604.8334
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.1382    Y=             -0.4687    Z=              1.3872  Tot=              1.8546
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -91.1315   YY=            -89.5040   ZZ=            -91.2629
   XY=              1.4737   XZ=             -5.9370   YZ=              0.7211
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.4987   YY=              1.1288   ZZ=             -0.6301
   XY=              1.4737   XZ=             -5.9370   YZ=              0.7211
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -10.8461  YYY=             33.0158  ZZZ=             -0.4324  XYY=            -22.4885
  XXY=             -5.1296  XXZ=             28.8887  XZZ=              3.6913  YZZ=             -2.1906
  YYZ=             14.1170  XYZ=            -11.8329
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5051.2706 YYYY=           -696.4523 ZZZZ=           -469.6702 XXXY=             -2.1029
 XXXZ=           -104.6563 YYYX=           -102.3156 YYYZ=             31.2946 ZZZX=             -7.8889
 ZZZY=             -9.9089 XXYY=           -895.5620 XXZZ=           -932.5294 YYZZ=           -206.8543
 XXYZ=             51.1691 YYXZ=            -27.9147 ZZXY=              2.5660
 N-N= 9.730650404749D+02 E-N=-3.468543371060D+03  KE= 6.487243189270D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 10:45:42 2021, MaxMem=  6442450944 cpu:               2.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.30043098D-01-1.59800220D-01 5.36355790D-01
 Polarizability= 2.07843605D+02-1.40721032D+00 1.30367258D+02
                 2.09507671D+00-7.18914189D+00 1.40807429D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.9963   -1.0003       -0.8767   -0.8782
 2      0.9963    1.0003        3.7868    3.7886      -40.3389  -40.3358
 3      0.8767    0.8782       34.6787   34.6759       -3.7878   -3.7886
 4     -3.7868   -3.7886       -0.0000    0.0000        0.8772    0.8782
 5      5.6601    5.6598       -0.8772   -0.8782       -0.9969   -1.0003
 6      3.7878    3.7886        0.9969    1.0003        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        3.0008    3.0008       -2.6345   -2.6345
 2    -11.3658  -11.3658       -0.0000    0.0000       -2.6344   -2.6345
 3    -11.3658  -11.3658        3.0008    3.0008        0.0000    0.0000
 4      3.0008    3.0008       11.3658   11.3658     -121.0073 -121.0073
 5      2.6344    2.6345      104.0278  104.0278      -11.3658  -11.3658
 6     16.9795   16.9795       -2.6345   -2.6345       -3.0008   -3.0008
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3082    0.0000        3.9266    4.0010        3.5149    3.5126
 2     -3.9969   -4.0010      -15.5416  -15.1544      161.3145  161.3430
 3     -3.2760   -3.5126     -138.7768 -138.7037       14.9673   15.1544
 4     15.4267   15.1544       -0.1040    0.0000       -3.5294   -3.5126
 5    -22.5180  -22.6394        3.5469    3.5126        4.3299    4.0010
 6    -15.1883  -15.1544       -4.1394   -4.0010       -0.1469    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3062    0.0000      -75.3933  -75.6551        7.8201    7.8263
 2     75.8088   75.6551       -6.0809   -6.5189       -4.0827   -3.8708
 3     -8.7825   -7.8263       37.7473   38.5744        6.5947    6.5189
 4      6.9649    6.5189        0.3533    0.0000       -7.8023   -7.8263
 5    -33.5173  -34.7036        8.5584    7.8263      -74.7043  -75.6551
 6     -7.0361   -6.5189       75.0859   75.6551       -0.0211    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -16.9186  -16.8441        5.9185    5.7721      -47.0134  -46.5580
 2      3.5103    2.3154      -52.3875  -53.5938      -46.6293  -46.5580
 3      3.2605    2.3154        6.7741    5.7721      -63.0234  -62.8152
 4     59.4512   59.3658      -18.9416  -19.1594       16.6501   16.5732
 5    -17.0579  -16.2572       49.8738   50.5195       18.2190   19.1594
 6    -65.2311  -67.0927       17.6922   16.2572      -57.8679  -59.3658
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.2631   -0.0009    0.0007    0.0010    2.2520    3.7066
 Low frequencies ---   24.9151   36.5360   45.6681
 Diagonal vibrational polarizability:
       44.0726976      17.8066734       8.4641303
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.9146                36.5357                45.6673
 Red. masses --      3.6253                 5.9313                 4.0981
 Frc consts  --      0.0013                 0.0047                 0.0050
 IR Inten    --      0.1620                 0.8922                 0.8498
 RamAct Fr= 1--      0.2973                 0.8688                 1.4678
  Dep-P Fr= 1--      0.7500                 0.6932                 0.7330
  Dep-U Fr= 1--      0.8571                 0.8188                 0.8460
 Alpha2 Fr= 1--      0.0000                 0.0009                 0.0004
 Beta2  Fr= 1--      0.0425                 0.1186                 0.2069
 AlphaG Fr= 1--     -0.0000                 0.0038                -0.0035
 Gamma2 Fr= 1--      0.1966                 0.1421                -0.8024
 Delta2 Fr= 1--      0.1107                 0.4555                -0.9465
 Raman1 Fr= 1--       1.189                  3.475                  5.871
 ROA1   Fr= 1--      22.419                 28.221               -107.318
 CID1   Fr= 1--      18.854                  8.121                -18.279
 Raman2 Fr= 1--       0.510                  1.423                  2.483
 ROA2   Fr= 1--       3.834                 -0.233                -11.685
 CID2   Fr= 1--       7.523                 -0.164                 -4.706
 Raman3 Fr= 1--       1.019                  2.845                  4.967
 ROA3   Fr= 1--      22.419                 28.221               -107.318
 CID3   Fr= 1--      21.997                  9.918                -21.608
 RC180  Fr= 1--       0.714                  0.638                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.10  -0.01    -0.01  -0.09  -0.04    -0.01  -0.13  -0.06
     2   6    -0.00   0.05  -0.05    -0.01  -0.06  -0.03     0.00  -0.04  -0.03
     3   6    -0.02   0.10   0.03    -0.01  -0.10  -0.04    -0.01  -0.13  -0.05
     4   6     0.01   0.05   0.02    -0.01  -0.07  -0.03     0.01  -0.03  -0.00
     5   6     0.03  -0.00  -0.02    -0.00  -0.06  -0.03     0.03   0.06   0.02
     6   6     0.03  -0.00  -0.05    -0.00  -0.05  -0.02     0.02   0.05   0.00
     7   6    -0.01   0.03  -0.10    -0.00   0.01  -0.00     0.00  -0.00  -0.05
     8   6     0.04  -0.08   0.03    -0.08   0.03   0.05    -0.02  -0.03   0.02
     9   6     0.05   0.00   0.22    -0.17   0.03   0.12    -0.15   0.00   0.21
    10   6     0.04  -0.10  -0.05    -0.06   0.14   0.03    -0.01   0.08  -0.13
    11   6     0.01   0.02   0.06    -0.00  -0.00  -0.01     0.01   0.02   0.03
    12   6    -0.05  -0.02  -0.05     0.08   0.03  -0.01     0.06   0.03  -0.01
    13   8    -0.12  -0.13  -0.06    -0.13  -0.01   0.07     0.25   0.07  -0.07
    14   8    -0.02   0.09  -0.12     0.44   0.10  -0.09    -0.13  -0.00   0.04
    15   1    -0.04   0.14  -0.01    -0.01  -0.10  -0.04    -0.03  -0.20  -0.09
    16   1    -0.04   0.13   0.06    -0.01  -0.12  -0.05    -0.03  -0.19  -0.06
    17   1     0.05  -0.04  -0.02    -0.00  -0.04  -0.02     0.04   0.13   0.05
    18   1     0.04  -0.05  -0.09    -0.00  -0.03  -0.02     0.04   0.12   0.03
    19   1    -0.03   0.16  -0.10     0.02   0.06   0.00    -0.01   0.07  -0.05
    20   1    -0.02  -0.03  -0.23     0.04   0.02  -0.03     0.03  -0.02  -0.11
    21   1     0.08  -0.21   0.03    -0.07  -0.04   0.05     0.07  -0.17   0.04
    22   1     0.06   0.01   0.28    -0.18  -0.05   0.14    -0.15  -0.08   0.33
    23   1     0.01   0.14   0.23    -0.19   0.10   0.12    -0.26   0.13   0.19
    24   1     0.08  -0.08   0.31    -0.22   0.04   0.15    -0.15  -0.02   0.25
    25   1    -0.00   0.04  -0.06    -0.07   0.22   0.04    -0.10   0.24  -0.15
    26   1     0.03  -0.16  -0.19     0.00   0.14  -0.02     0.08   0.05  -0.28
    27   1     0.07  -0.18   0.03    -0.12   0.15   0.08    -0.02   0.05  -0.07
    28   1     0.05   0.10   0.08     0.01   0.02  -0.01     0.03   0.05   0.03
    29   6     0.03  -0.08   0.15    -0.07   0.03   0.01    -0.04   0.03   0.06
    30   1    -0.06   0.06  -0.19     0.47   0.11  -0.09    -0.07   0.01   0.01
    31   1     0.03  -0.10   0.17    -0.07   0.11   0.02    -0.03   0.06   0.09
    32   1     0.07  -0.05   0.24    -0.14   0.01   0.03    -0.06   0.02   0.07
    33   1     0.01  -0.16   0.13    -0.07   0.00   0.01    -0.06   0.01   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --     54.0153                67.5112               108.3575
 Red. masses --      4.0872                 3.0139                 4.7885
 Frc consts  --      0.0070                 0.0081                 0.0331
 IR Inten    --      0.3691                 0.1498                 0.0980
 RamAct Fr= 1--      4.3246                 0.1441                 2.3697
  Dep-P Fr= 1--      0.7476                 0.7479                 0.7363
  Dep-U Fr= 1--      0.8556                 0.8558                 0.8481
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0006
 Beta2  Fr= 1--      0.6167                 0.0206                 0.3350
 AlphaG Fr= 1--      0.0004                 0.0000                -0.0009
 Gamma2 Fr= 1--      0.3277                 0.5199                -0.4792
 Delta2 Fr= 1--      0.1171                 0.2492                -0.0598
 Raman1 Fr= 1--      17.298                  0.577                  9.479
 ROA1   Fr= 1--      35.205                 57.889                -47.911
 CID1   Fr= 1--       2.035                100.414                 -5.055
 Raman2 Fr= 1--       7.400                  0.247                  4.020
 ROA2   Fr= 1--       6.927                 10.485                -11.022
 CID2   Fr= 1--       0.936                 42.503                 -2.742
 Raman3 Fr= 1--      14.801                  0.493                  8.039
 ROA3   Fr= 1--      35.205                 57.889                -47.911
 CID3   Fr= 1--       2.379                117.338                 -5.960
 RC180  Fr= 1--       0.711                  0.712                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11  -0.08    -0.04  -0.03  -0.10    -0.09   0.10   0.07
     2   6    -0.01   0.07  -0.01    -0.01   0.01  -0.11    -0.07   0.13   0.07
     3   6    -0.03  -0.14  -0.09    -0.04  -0.05  -0.05    -0.09  -0.03   0.04
     4   6    -0.01   0.01  -0.04     0.00  -0.02  -0.02    -0.09  -0.12   0.02
     5   6     0.01   0.22   0.04     0.04  -0.00  -0.05    -0.07  -0.09   0.02
     6   6     0.01   0.25   0.05     0.03   0.01  -0.09    -0.06   0.04   0.05
     7   6    -0.01   0.03  -0.02    -0.01   0.06  -0.11    -0.07   0.13   0.02
     8   6     0.05  -0.04   0.02    -0.06   0.02   0.01     0.05   0.07  -0.01
     9   6     0.11   0.00   0.09     0.07   0.03  -0.05     0.16   0.11   0.01
    10   6     0.04  -0.11   0.00    -0.05  -0.03   0.26     0.03  -0.09  -0.10
    11   6    -0.02  -0.04  -0.05     0.01   0.00   0.05    -0.09  -0.10   0.00
    12   6    -0.05  -0.03   0.03     0.03   0.00   0.02     0.08  -0.05  -0.03
    13   8    -0.14  -0.00   0.08     0.08  -0.00   0.00     0.21  -0.01  -0.07
    14   8     0.04  -0.07   0.05    -0.02   0.01   0.03     0.14  -0.05  -0.04
    15   1    -0.03  -0.24  -0.12    -0.08  -0.04  -0.11    -0.09   0.16   0.09
    16   1    -0.04  -0.29  -0.15    -0.07  -0.07  -0.04    -0.11  -0.04   0.05
    17   1     0.02   0.35   0.08     0.08   0.02  -0.02    -0.07  -0.14   0.01
    18   1     0.02   0.40   0.11     0.06   0.04  -0.10    -0.05   0.06   0.04
    19   1    -0.02   0.07  -0.03     0.01   0.15  -0.10    -0.12   0.14   0.01
    20   1    -0.04  -0.00  -0.08     0.01   0.03  -0.18    -0.09   0.11  -0.03
    21   1     0.06  -0.07   0.02    -0.23   0.03  -0.03     0.11   0.09   0.01
    22   1     0.11   0.03   0.09     0.05   0.05  -0.26     0.18   0.20   0.04
    23   1     0.12   0.04   0.09     0.28   0.04  -0.00     0.15   0.10   0.01
    24   1     0.14  -0.04   0.12    -0.02   0.02   0.06     0.25   0.06   0.01
    25   1     0.04  -0.08  -0.00     0.13  -0.07   0.31    -0.04  -0.14  -0.12
    26   1     0.00  -0.14  -0.04    -0.15  -0.03   0.34    -0.04  -0.11  -0.10
    27   1     0.09  -0.16   0.03    -0.11  -0.04   0.33     0.14  -0.13  -0.15
    28   1    -0.02  -0.10  -0.06     0.07   0.04   0.07    -0.12  -0.07   0.00
    29   6     0.00  -0.00  -0.11    -0.06  -0.02   0.13    -0.15  -0.04  -0.00
    30   1     0.02  -0.06   0.10     0.00   0.01   0.01     0.30  -0.01  -0.07
    31   1     0.00  -0.04  -0.10    -0.04   0.01   0.20    -0.15   0.05  -0.03
    32   1     0.03  -0.01  -0.17    -0.06  -0.02   0.15    -0.25  -0.07   0.01
    33   1    -0.01   0.06  -0.09    -0.11  -0.06   0.11    -0.11  -0.07  -0.00
                      7                      8                      9
                      A                      A                      A
 Frequencies --    160.2674               198.0163               223.3358
 Red. masses --      3.8315                 2.8954                 1.0642
 Frc consts  --      0.0580                 0.0669                 0.0313
 IR Inten    --      0.1028                 0.5314                 0.1618
 RamAct Fr= 1--      1.3081                 0.3256                 0.0942
  Dep-P Fr= 1--      0.2145                 0.4353                 0.7494
  Dep-U Fr= 1--      0.3532                 0.6066                 0.8567
 Alpha2 Fr= 1--      0.0171                 0.0021                 0.0000
 Beta2  Fr= 1--      0.0770                 0.0329                 0.0135
 AlphaG Fr= 1--      0.0051                -0.0033                 0.0000
 Gamma2 Fr= 1--      0.0721                 0.3765                 0.1119
 Delta2 Fr= 1--     -0.0383                 0.2451                 0.0497
 Raman1 Fr= 1--       5.233                  1.302                  0.377
 ROA1   Fr= 1--       5.702                 43.984                 12.331
 CID1   Fr= 1--       1.090                 33.775                 32.714
 Raman2 Fr= 1--       0.924                  0.395                  0.161
 ROA2   Fr= 1--       2.038                  7.074                  2.287
 CID2   Fr= 1--       2.205                 17.910                 14.164
 Raman3 Fr= 1--       1.848                  0.790                  0.323
 ROA3   Fr= 1--       5.702                 43.984                 12.331
 CID3   Fr= 1--       3.085                 55.679                 38.184
 RC180  Fr= 1--      -0.294                  0.213                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.07   0.02     0.04   0.11  -0.03     0.01   0.02  -0.00
     2   6    -0.06   0.01  -0.03    -0.01   0.05  -0.01     0.00   0.01  -0.01
     3   6    -0.06   0.10   0.10     0.03   0.11  -0.08     0.00   0.01  -0.00
     4   6     0.01   0.07   0.12    -0.00   0.06  -0.11     0.00  -0.00  -0.01
     5   6     0.03   0.10   0.10    -0.04   0.09  -0.07     0.00   0.01  -0.01
     6   6     0.02   0.07   0.02    -0.04   0.09  -0.02     0.00   0.02  -0.00
     7   6    -0.08  -0.03  -0.11    -0.00  -0.07   0.09     0.01  -0.01   0.00
     8   6    -0.11  -0.06  -0.04    -0.01  -0.04   0.04     0.00  -0.01  -0.00
     9   6    -0.11  -0.05  -0.03    -0.08  -0.09  -0.02    -0.01  -0.02  -0.01
    10   6    -0.11  -0.05   0.04    -0.01  -0.01   0.02     0.01   0.01   0.02
    11   6     0.00  -0.04   0.03     0.01  -0.03  -0.03     0.00  -0.00  -0.01
    12   6     0.05  -0.04  -0.00     0.02  -0.03  -0.01     0.00  -0.00  -0.00
    13   8     0.12  -0.03  -0.03     0.06   0.03   0.01    -0.01   0.01   0.01
    14   8     0.10  -0.02  -0.02     0.07  -0.09   0.03    -0.00  -0.02   0.01
    15   1    -0.11   0.06   0.00     0.08   0.13  -0.00     0.00   0.03  -0.00
    16   1    -0.10   0.11   0.14     0.05   0.13  -0.09     0.00   0.01  -0.00
    17   1     0.07   0.12   0.12    -0.08   0.10  -0.09     0.01   0.02  -0.00
    18   1     0.07   0.08  -0.01    -0.07   0.09   0.00     0.01   0.03  -0.00
    19   1    -0.11   0.04  -0.11     0.08  -0.17   0.10     0.01  -0.02   0.00
    20   1    -0.07  -0.05  -0.17    -0.10  -0.06   0.20    -0.01  -0.01   0.01
    21   1    -0.17  -0.09  -0.06     0.01  -0.00   0.04    -0.00  -0.01  -0.00
    22   1    -0.12  -0.08  -0.08    -0.06  -0.05   0.17     0.00   0.01   0.08
    23   1    -0.06  -0.01  -0.01    -0.29  -0.20  -0.08    -0.11  -0.07  -0.04
    24   1    -0.16  -0.05   0.03     0.04  -0.04  -0.21     0.05  -0.01  -0.09
    25   1    -0.04  -0.01   0.06    -0.02   0.01   0.01     0.04   0.13   0.03
    26   1    -0.14  -0.06   0.03     0.01  -0.01  -0.00     0.00  -0.04  -0.09
    27   1    -0.14  -0.07   0.11    -0.02  -0.00   0.02    -0.01  -0.05   0.12
    28   1    -0.09  -0.09  -0.00     0.12   0.01  -0.00    -0.00   0.01  -0.01
    29   6     0.21  -0.05  -0.13    -0.05  -0.13   0.13    -0.01  -0.01   0.01
    30   1     0.19  -0.00  -0.04     0.14  -0.06   0.08    -0.01  -0.02   0.03
    31   1     0.18  -0.18  -0.28    -0.01  -0.29   0.39    -0.07   0.38  -0.35
    32   1     0.29  -0.03  -0.14     0.14  -0.07   0.05    -0.39  -0.08   0.42
    33   1     0.34   0.02  -0.09    -0.33  -0.11   0.09     0.41  -0.36  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    229.2851               250.0408               255.1630
 Red. masses --      1.0897                 1.5616                 1.7810
 Frc consts  --      0.0338                 0.0575                 0.0683
 IR Inten    --      0.2137                 0.1212                 0.9318
 RamAct Fr= 1--      0.0600                 1.3626                 0.4775
  Dep-P Fr= 1--      0.7370                 0.4443                 0.6906
  Dep-U Fr= 1--      0.8486                 0.6152                 0.8170
 Alpha2 Fr= 1--      0.0000                 0.0085                 0.0005
 Beta2  Fr= 1--      0.0085                 0.1397                 0.0650
 AlphaG Fr= 1--      0.0001                -0.0263                -0.0020
 Gamma2 Fr= 1--     -0.0506                -0.8134                 0.4749
 Delta2 Fr= 1--      0.0148                 0.0713                 0.1366
 Raman1 Fr= 1--       0.240                  5.450                  1.910
 ROA1   Fr= 1--      -4.388                -75.800                 49.958
 CID1   Fr= 1--     -18.292                -13.907                 26.157
 Raman2 Fr= 1--       0.102                  1.677                  0.780
 ROA2   Fr= 1--      -1.334                -20.092                 10.303
 CID2   Fr= 1--     -13.109                -11.983                 13.206
 Raman3 Fr= 1--       0.204                  3.353                  1.560
 ROA3   Fr= 1--      -4.388                -75.800                 49.958
 CID3   Fr= 1--     -21.556                -22.605                 32.017
 RC180  Fr= 1--       0.697                  0.230                  0.634
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.01    -0.01  -0.05  -0.03    -0.00  -0.05   0.00
     2   6     0.00   0.00   0.00    -0.02  -0.01  -0.01    -0.02  -0.04   0.03
     3   6    -0.01  -0.01   0.02    -0.01  -0.04  -0.03    -0.00  -0.01  -0.02
     4   6    -0.00  -0.01   0.02     0.01   0.01  -0.00    -0.01   0.03  -0.02
     5   6     0.01  -0.01   0.01    -0.01  -0.03  -0.02    -0.05  -0.01  -0.01
     6   6     0.01  -0.00   0.00    -0.01  -0.05  -0.02    -0.05  -0.05   0.01
     7   6     0.00   0.00  -0.01    -0.02   0.05   0.03    -0.02   0.00   0.03
     8   6     0.01  -0.00  -0.01    -0.03   0.05   0.03    -0.01   0.03  -0.01
     9   6     0.02  -0.01  -0.03     0.01   0.07   0.02     0.06   0.05  -0.00
    10   6     0.01   0.02   0.03    -0.05  -0.06  -0.00    -0.02   0.01  -0.04
    11   6    -0.01  -0.00   0.01     0.02   0.03   0.00    -0.01   0.03  -0.03
    12   6    -0.00  -0.00   0.00     0.00   0.03   0.00    -0.02   0.03  -0.03
    13   8    -0.00  -0.02  -0.00    -0.00   0.04   0.01    -0.01   0.11   0.00
    14   8    -0.01   0.02  -0.01    -0.00   0.02   0.01     0.02  -0.03   0.02
    15   1    -0.02  -0.00   0.00    -0.01  -0.08  -0.04     0.02  -0.08   0.00
    16   1    -0.01  -0.02   0.02    -0.02  -0.06  -0.03     0.02  -0.01  -0.04
    17   1     0.02  -0.02   0.01    -0.01  -0.03  -0.02    -0.08   0.00  -0.02
    18   1     0.01  -0.00  -0.00    -0.01  -0.06  -0.03    -0.07  -0.07   0.02
    19   1    -0.00  -0.01  -0.01     0.00   0.06   0.03    -0.03  -0.04   0.03
    20   1    -0.00   0.00  -0.01    -0.00   0.06   0.03     0.00   0.03   0.07
    21   1    -0.01   0.00  -0.01    -0.02   0.08   0.03    -0.00   0.04  -0.01
    22   1     0.06   0.11   0.20     0.09   0.28   0.42     0.01  -0.02  -0.31
    23   1    -0.23  -0.13  -0.10    -0.40  -0.11  -0.09     0.38   0.17   0.08
    24   1     0.22  -0.01  -0.23     0.38   0.03  -0.29    -0.14   0.03   0.23
    25   1     0.11   0.49   0.07    -0.10  -0.27  -0.02    -0.00   0.34  -0.03
    26   1    -0.04  -0.17  -0.37    -0.11  -0.02   0.14    -0.05  -0.14  -0.35
    27   1    -0.03  -0.23   0.44     0.04  -0.02  -0.16     0.00  -0.18   0.23
    28   1    -0.02  -0.02   0.01     0.02   0.04   0.01    -0.00   0.07  -0.02
    29   6    -0.01   0.03  -0.02     0.11  -0.04   0.01     0.10  -0.11   0.05
    30   1    -0.01   0.01  -0.03    -0.01   0.02   0.02     0.05  -0.00   0.07
    31   1    -0.00  -0.06   0.07     0.10  -0.11  -0.05     0.09  -0.21   0.01
    32   1     0.07   0.03  -0.15     0.17  -0.01   0.09     0.20  -0.05   0.17
    33   1    -0.12   0.15  -0.01     0.16  -0.09   0.01     0.11  -0.22   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    298.2527               321.6383               348.6184
 Red. masses --      2.7376                 3.4700                 3.3408
 Frc consts  --      0.1435                 0.2115                 0.2392
 IR Inten    --      0.9187                 0.3598                 0.9915
 RamAct Fr= 1--      1.3839                 0.3396                 2.1817
  Dep-P Fr= 1--      0.0740                 0.6403                 0.6922
  Dep-U Fr= 1--      0.1377                 0.7807                 0.8181
 Alpha2 Fr= 1--      0.0258                 0.0007                 0.0022
 Beta2  Fr= 1--      0.0318                 0.0442                 0.2975
 AlphaG Fr= 1--      0.0196                 0.0000                 0.0007
 Gamma2 Fr= 1--     -0.1125                 0.7628                 0.4466
 Delta2 Fr= 1--     -0.2337                 0.4006                -0.3859
 Raman1 Fr= 1--       5.535                  1.359                  8.727
 ROA1   Fr= 1--     -18.283                 86.047                 30.525
 CID1   Fr= 1--      -3.303                 63.338                  3.498
 Raman2 Fr= 1--       0.381                  0.530                  3.570
 ROA2   Fr= 1--      -0.831                 15.102                 13.806
 CID2   Fr= 1--      -2.180                 28.478                  3.868
 Raman3 Fr= 1--       0.762                  1.061                  7.139
 ROA3   Fr= 1--     -18.283                 86.047                 30.525
 CID3   Fr= 1--     -23.983                 81.131                  4.276
 RC180  Fr= 1--      -0.725                  0.561                  0.636
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02   0.03    -0.09  -0.00  -0.10    -0.02   0.09   0.00
     2   6     0.01  -0.01  -0.00    -0.06   0.05  -0.08     0.01   0.19   0.02
     3   6    -0.05  -0.02   0.06    -0.11  -0.01  -0.06    -0.03  -0.14  -0.02
     4   6    -0.06  -0.01   0.06    -0.07   0.03  -0.02     0.01  -0.14  -0.00
     5   6    -0.02  -0.01   0.03    -0.06  -0.00  -0.07     0.03  -0.15  -0.02
     6   6    -0.01  -0.01   0.00    -0.08   0.00  -0.11     0.05   0.08  -0.00
     7   6     0.04  -0.01  -0.11    -0.00  -0.05   0.13     0.00   0.09   0.03
     8   6     0.09  -0.07  -0.04     0.07  -0.03   0.07     0.06  -0.00   0.06
     9   6     0.04  -0.07   0.01     0.08  -0.06   0.01    -0.14  -0.12  -0.05
    10   6     0.14   0.14   0.07     0.10   0.12  -0.01     0.04  -0.08   0.01
    11   6    -0.09   0.00  -0.03    -0.04  -0.01   0.10     0.02   0.02  -0.00
    12   6    -0.05   0.04  -0.06    -0.01  -0.02   0.11     0.02   0.06  -0.01
    13   8    -0.03   0.15  -0.02     0.08  -0.12   0.04    -0.04   0.09   0.02
    14   8     0.01  -0.04  -0.01     0.00   0.12   0.02    -0.04   0.07  -0.01
    15   1    -0.10  -0.01   0.01    -0.13  -0.03  -0.12    -0.05   0.13   0.00
    16   1    -0.05  -0.02   0.06    -0.13  -0.04  -0.05    -0.07  -0.21  -0.02
    17   1     0.02  -0.02   0.05    -0.04  -0.04  -0.07     0.06  -0.23  -0.04
    18   1    -0.01  -0.01   0.00    -0.07  -0.03  -0.13     0.09   0.11  -0.02
    19   1    -0.06   0.12  -0.13     0.16  -0.23   0.16     0.01   0.14   0.04
    20   1     0.05  -0.07  -0.26    -0.16  -0.04   0.32    -0.10   0.02  -0.04
    21   1     0.06  -0.12  -0.04     0.12   0.01   0.09     0.08   0.02   0.07
    22   1     0.07  -0.03   0.19     0.07  -0.07  -0.08    -0.20  -0.39  -0.17
    23   1    -0.15  -0.11  -0.04     0.16  -0.10   0.03    -0.08  -0.17  -0.04
    24   1     0.17  -0.07  -0.12     0.03  -0.04   0.02    -0.41   0.07  -0.08
    25   1     0.22   0.00   0.09     0.03   0.15  -0.02     0.02  -0.06   0.00
    26   1     0.31   0.29   0.29     0.27   0.17  -0.00    -0.04  -0.14  -0.06
    27   1    -0.07   0.36  -0.05     0.00   0.21  -0.05     0.14  -0.17   0.05
    28   1    -0.15   0.06  -0.03    -0.01  -0.10   0.08    -0.01   0.05  -0.00
    29   6    -0.00  -0.10   0.01     0.10   0.01  -0.04     0.08  -0.03   0.00
    30   1     0.10   0.00   0.05     0.07   0.10  -0.12    -0.13   0.04  -0.02
    31   1    -0.00  -0.22   0.02     0.07  -0.06  -0.23     0.07  -0.14  -0.01
    32   1     0.12  -0.05   0.05     0.14   0.02  -0.03     0.18   0.01   0.02
    33   1    -0.04  -0.14  -0.01     0.28   0.06   0.00     0.08  -0.04   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --    386.8639               410.7315               419.5371
 Red. masses --      2.8826                 2.6166                 2.9500
 Frc consts  --      0.2542                 0.2601                 0.3059
 IR Inten    --      0.6359                 0.1174                 0.0142
 RamAct Fr= 1--      0.9787                 4.2116                 0.2041
  Dep-P Fr= 1--      0.1825                 0.1245                 0.1407
  Dep-U Fr= 1--      0.3086                 0.2214                 0.2466
 Alpha2 Fr= 1--      0.0139                 0.0694                 0.0032
 Beta2  Fr= 1--      0.0503                 0.1554                 0.0084
 AlphaG Fr= 1--      0.0026                -0.0309                -0.0349
 Gamma2 Fr= 1--      0.3151                -0.2464                -0.7213
 Delta2 Fr= 1--      0.1231                 0.0450                -0.0613
 Raman1 Fr= 1--       3.915                 16.846                  0.816
 ROA1   Fr= 1--      34.187                -22.212                -71.203
 CID1   Fr= 1--       8.733                 -1.318                -87.227
 Raman2 Fr= 1--       0.604                  1.865                  0.101
 ROA2   Fr= 1--       6.577                 -6.273                -16.821
 CID2   Fr= 1--      10.889                 -3.364               -167.094
 Raman3 Fr= 1--       1.208                  3.729                  0.201
 ROA3   Fr= 1--      34.187                -22.212                -71.203
 CID3   Fr= 1--      28.298                 -5.956               -353.659
 RC180  Fr= 1--      -0.383                 -0.557                 -0.507
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.03   0.07     0.01   0.10   0.02     0.02   0.18   0.08
     2   6    -0.02   0.00   0.14    -0.04   0.05   0.02     0.00  -0.01   0.02
     3   6     0.05   0.02  -0.10     0.01  -0.08  -0.03    -0.02  -0.18  -0.08
     4   6    -0.01   0.01  -0.13     0.05  -0.09  -0.02    -0.01   0.01  -0.01
     5   6    -0.12  -0.03  -0.08     0.03  -0.02   0.03    -0.00   0.20   0.06
     6   6    -0.09   0.01   0.12     0.02   0.02   0.03    -0.03  -0.20  -0.06
     7   6    -0.05   0.06  -0.12    -0.08  -0.04  -0.01     0.01   0.01  -0.01
     8   6     0.01  -0.04  -0.05    -0.12  -0.10   0.06     0.03   0.02  -0.03
     9   6    -0.01  -0.03  -0.02     0.13  -0.07   0.01    -0.03   0.01  -0.00
    10   6     0.03   0.02   0.02    -0.13   0.11  -0.04     0.03  -0.02   0.01
    11   6     0.03   0.01   0.01     0.09   0.02  -0.02    -0.01  -0.00   0.01
    12   6     0.02  -0.01   0.08     0.06   0.02  -0.04    -0.01  -0.00   0.01
    13   8     0.04  -0.09   0.04    -0.03   0.02   0.00     0.01  -0.01   0.00
    14   8    -0.01   0.09   0.03    -0.01  -0.01  -0.01     0.00   0.01   0.01
    15   1     0.18  -0.07   0.12     0.04   0.17   0.05     0.05   0.39   0.16
    16   1     0.13   0.04  -0.16    -0.03  -0.13  -0.03    -0.02  -0.40  -0.17
    17   1    -0.25  -0.04  -0.15     0.01   0.02   0.03     0.01   0.42   0.13
    18   1    -0.18   0.03   0.21     0.06   0.02  -0.00    -0.08  -0.43  -0.13
    19   1    -0.32   0.34  -0.17    -0.08   0.03  -0.01    -0.02   0.00  -0.02
    20   1     0.09  -0.02  -0.46    -0.12  -0.09  -0.07     0.02   0.01  -0.02
    21   1    -0.01  -0.08  -0.06    -0.14  -0.11   0.06     0.02   0.01  -0.03
    22   1    -0.01  -0.04   0.03     0.17   0.23  -0.09    -0.04  -0.06   0.03
    23   1    -0.06  -0.02  -0.03     0.25  -0.21   0.02    -0.06   0.06  -0.01
    24   1     0.00  -0.03  -0.04     0.32  -0.18  -0.02    -0.08   0.03   0.01
    25   1     0.11   0.02   0.05    -0.28   0.18  -0.09     0.09  -0.04   0.03
    26   1     0.05   0.05   0.07     0.15   0.19  -0.07    -0.03  -0.03   0.03
    27   1    -0.06   0.06   0.05    -0.24   0.26  -0.14     0.04  -0.05   0.04
    28   1     0.13  -0.06   0.01     0.07   0.06  -0.02     0.00  -0.02   0.00
    29   6     0.05  -0.00   0.00     0.03   0.03   0.02     0.00  -0.00  -0.00
    30   1    -0.03   0.05  -0.07    -0.18  -0.05   0.05     0.03   0.01  -0.01
    31   1     0.04  -0.02  -0.05     0.04   0.06   0.08     0.00  -0.01  -0.02
    32   1     0.07   0.01   0.05     0.02   0.03   0.01     0.01  -0.00  -0.00
    33   1     0.11  -0.03   0.01    -0.02   0.02   0.01     0.01  -0.00  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    424.9031               452.1944               551.3813
 Red. masses --      2.2179                 3.7049                 2.4558
 Frc consts  --      0.2359                 0.4464                 0.4399
 IR Inten    --      0.9734                 6.7223                11.9599
 RamAct Fr= 1--      0.8059                 1.8970                 1.1524
  Dep-P Fr= 1--      0.6074                 0.1357                 0.3284
  Dep-U Fr= 1--      0.7557                 0.2390                 0.4944
 Alpha2 Fr= 1--      0.0021                 0.0304                 0.0108
 Beta2  Fr= 1--      0.1015                 0.0756                 0.0950
 AlphaG Fr= 1--      0.0013                 0.0084                 0.0174
 Gamma2 Fr= 1--     -0.4913                 0.1532                -0.0027
 Delta2 Fr= 1--     -0.1712                 0.0858                 0.0389
 Raman1 Fr= 1--       3.224                  7.588                  4.610
 ROA1   Fr= 1--     -52.642                 17.450                  0.988
 CID1   Fr= 1--     -16.329                  2.300                  0.214
 Raman2 Fr= 1--       1.218                  0.907                  1.140
 ROA2   Fr= 1--     -10.422                  2.989                 -0.375
 CID2   Fr= 1--      -8.555                  3.296                 -0.329
 Raman3 Fr= 1--       2.436                  1.814                  2.279
 ROA3   Fr= 1--     -52.642                 17.450                  0.988
 CID3   Fr= 1--     -21.607                  9.621                  0.433
 RC180  Fr= 1--       0.511                 -0.522                 -0.011
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06  -0.02     0.07   0.02   0.03     0.07   0.00   0.04
     2   6    -0.00  -0.03  -0.01     0.09  -0.09  -0.04     0.09   0.13   0.05
     3   6    -0.01   0.03   0.01     0.06   0.02   0.03     0.04  -0.08  -0.01
     4   6     0.00   0.10   0.03    -0.03  -0.06  -0.02    -0.03   0.11   0.03
     5   6    -0.00   0.05   0.01     0.05   0.05  -0.02     0.02  -0.05  -0.07
     6   6    -0.01  -0.07  -0.03     0.07   0.02  -0.02     0.04   0.03  -0.01
     7   6     0.01   0.14   0.01     0.08   0.01  -0.02     0.05  -0.03  -0.02
     8   6     0.02   0.02   0.19    -0.06   0.01   0.10    -0.05  -0.03  -0.03
     9   6     0.01  -0.10  -0.04     0.03  -0.02  -0.01     0.01  -0.01   0.00
    10   6     0.00   0.00  -0.03    -0.10  -0.00  -0.04    -0.08   0.00  -0.01
    11   6    -0.00   0.02   0.01    -0.12  -0.11  -0.02    -0.10   0.03   0.08
    12   6    -0.01  -0.02  -0.02    -0.07   0.01   0.10    -0.14  -0.01   0.01
    13   8     0.00  -0.03  -0.03     0.04   0.06   0.08     0.01  -0.01  -0.06
    14   8     0.02  -0.08   0.00    -0.04   0.20  -0.01    -0.00  -0.06   0.02
    15   1    -0.02  -0.10  -0.03     0.06   0.12   0.05     0.04  -0.16  -0.03
    16   1    -0.01   0.03   0.00     0.11   0.10   0.02     0.09  -0.27  -0.14
    17   1    -0.00   0.06   0.01     0.11   0.13   0.03     0.04  -0.27  -0.13
    18   1    -0.02  -0.12  -0.04     0.04   0.10   0.03    -0.02  -0.16  -0.04
    19   1    -0.02   0.51   0.01     0.12   0.19  -0.00     0.04  -0.08  -0.03
    20   1     0.09   0.03  -0.33     0.17  -0.00  -0.13     0.00  -0.03   0.03
    21   1     0.06   0.04   0.20    -0.08  -0.00   0.09    -0.09  -0.06  -0.04
    22   1    -0.02  -0.14  -0.20     0.04   0.10  -0.10     0.02   0.07   0.00
    23   1     0.09  -0.38  -0.05     0.11  -0.18  -0.01     0.03   0.01   0.01
    24   1    -0.08   0.08  -0.23     0.08  -0.01  -0.09     0.07  -0.08   0.04
    25   1    -0.23   0.06  -0.10    -0.29   0.02  -0.09    -0.10   0.00  -0.01
    26   1     0.08  -0.03  -0.16    -0.05  -0.03  -0.13    -0.06   0.01  -0.01
    27   1     0.12  -0.03  -0.11     0.01  -0.03  -0.11    -0.09   0.02  -0.02
    28   1    -0.01   0.04   0.01    -0.09  -0.23  -0.04    -0.06   0.04   0.09
    29   6    -0.01   0.04   0.01    -0.09  -0.18  -0.09     0.01   0.04   0.02
    30   1     0.08  -0.04   0.08     0.12   0.17  -0.31     0.69   0.14  -0.03
    31   1    -0.01   0.08   0.03    -0.10  -0.24  -0.13    -0.01  -0.01  -0.10
    32   1    -0.05   0.03  -0.00    -0.04  -0.15  -0.03     0.03   0.05  -0.02
    33   1    -0.02   0.06   0.01    -0.05  -0.22  -0.09     0.11   0.12   0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    566.1443               619.3203               642.9349
 Red. masses --      2.7667                 1.7552                 2.9798
 Frc consts  --      0.5225                 0.3967                 0.7257
 IR Inten    --     35.8469                63.2709                28.3496
 RamAct Fr= 1--      0.1617                 1.2363                 2.9191
  Dep-P Fr= 1--      0.2813                 0.7106                 0.6510
  Dep-U Fr= 1--      0.4391                 0.8308                 0.7886
 Alpha2 Fr= 1--      0.0018                 0.0008                 0.0052
 Beta2  Fr= 1--      0.0118                 0.1712                 0.3837
 AlphaG Fr= 1--     -0.0105                 0.0063                -0.0096
 Gamma2 Fr= 1--     -0.0008                -1.2317                -0.2624
 Delta2 Fr= 1--     -0.1076                -0.0303                -0.0965
 Raman1 Fr= 1--       0.647                  4.945                 11.677
 ROA1   Fr= 1--      -3.518               -119.217                -28.279
 CID1   Fr= 1--      -5.438                -24.107                 -2.422
 Raman2 Fr= 1--       0.142                  2.054                  4.604
 ROA2   Fr= 1--       0.843                -29.319                 -5.526
 CID2   Fr= 1--       5.933                -14.272                 -1.200
 Raman3 Fr= 1--       0.284                  4.109                  9.209
 ROA3   Fr= 1--      -3.518               -119.217                -28.279
 CID3   Fr= 1--     -12.385                -29.015                 -3.071
 RC180  Fr= 1--      -0.122                  0.662                  0.577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.05  -0.06    -0.02   0.00  -0.03     0.07   0.03  -0.10
     2   6    -0.05   0.16   0.05    -0.07  -0.05  -0.00    -0.03  -0.01  -0.06
     3   6     0.03   0.02  -0.00    -0.01   0.03  -0.05     0.10  -0.04   0.07
     4   6     0.10   0.17   0.07     0.06  -0.05  -0.03     0.03  -0.05   0.04
     5   6     0.04  -0.00   0.06     0.04   0.00   0.02    -0.07  -0.04   0.12
     6   6     0.02  -0.08   0.01     0.02  -0.03   0.04    -0.09   0.03  -0.04
     7   6    -0.10   0.03   0.02    -0.07   0.02   0.02    -0.03   0.01  -0.00
     8   6     0.00  -0.03  -0.04     0.01   0.00   0.00     0.00   0.00  -0.00
     9   6     0.00  -0.02   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6     0.01   0.01   0.00     0.04   0.00   0.00     0.02  -0.00   0.00
    11   6     0.06  -0.06  -0.10     0.07  -0.05   0.03     0.01   0.10  -0.14
    12   6     0.02  -0.03   0.03    -0.05  -0.05   0.00     0.02   0.09   0.01
    13   8     0.02   0.02   0.06    -0.02   0.07   0.04    -0.02  -0.13  -0.06
    14   8    -0.01   0.06  -0.02    -0.07  -0.02  -0.05    -0.03   0.03   0.15
    15   1     0.01  -0.38  -0.16     0.05   0.08   0.03     0.03   0.12  -0.09
    16   1    -0.05  -0.25  -0.06    -0.04   0.13   0.02     0.03   0.00   0.15
    17   1    -0.01  -0.27  -0.05    -0.01   0.12   0.04    -0.02   0.03   0.17
    18   1     0.06  -0.39  -0.16     0.08   0.08   0.05     0.00   0.12  -0.07
    19   1    -0.12  -0.05   0.01    -0.09   0.02   0.02    -0.02   0.04  -0.00
    20   1    -0.20   0.01   0.06    -0.07   0.01   0.00    -0.02   0.00  -0.04
    21   1     0.01  -0.02  -0.03     0.05   0.03   0.01     0.02   0.01   0.00
    22   1     0.00  -0.03   0.02    -0.01  -0.03   0.01    -0.00  -0.01   0.00
    23   1    -0.01   0.02   0.01    -0.01   0.00  -0.00    -0.01   0.00  -0.00
    24   1    -0.00  -0.04   0.03    -0.03   0.02  -0.01    -0.01   0.01  -0.01
    25   1     0.07   0.02   0.02     0.07   0.01   0.01     0.03   0.00   0.00
    26   1     0.04   0.03   0.04     0.05   0.01   0.02     0.02   0.00   0.01
    27   1    -0.07   0.05   0.03     0.01   0.01   0.02     0.00   0.00   0.01
    28   1     0.04  -0.15  -0.12     0.12  -0.04   0.04    -0.05   0.05  -0.16
    29   6    -0.08  -0.09  -0.06     0.03   0.03   0.02    -0.02  -0.02  -0.03
    30   1    -0.12  -0.00  -0.16     0.78   0.15  -0.40     0.68   0.25   0.15
    31   1    -0.05   0.04   0.12     0.03   0.13   0.03     0.00  -0.09   0.11
    32   1    -0.19  -0.12  -0.00    -0.08  -0.03  -0.07     0.08   0.04   0.16
    33   1    -0.24  -0.21  -0.11     0.03   0.11   0.04    -0.16  -0.26  -0.11
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.6842               720.5412               754.1943
 Red. masses --      5.0950                 3.1232                 3.9114
 Frc consts  --      1.3302                 0.9554                 1.3108
 IR Inten    --      8.0118                35.8887                 6.3018
 RamAct Fr= 1--      5.2359                 2.6347                 5.1423
  Dep-P Fr= 1--      0.4896                 0.0463                 0.0638
  Dep-U Fr= 1--      0.6574                 0.0885                 0.1199
 Alpha2 Fr= 1--      0.0271                 0.0525                 0.0983
 Beta2  Fr= 1--      0.5736                 0.0388                 0.1027
 AlphaG Fr= 1--     -0.0594                 0.0353                 0.0494
 Gamma2 Fr= 1--     -0.0731                 0.7450                -0.3859
 Delta2 Fr= 1--     -0.0566                 0.1526                 0.0171
 Raman1 Fr= 1--      20.944                 10.539                 20.569
 ROA1   Fr= 1--      -8.834                 76.402                -36.502
 CID1   Fr= 1--      -0.422                  7.250                 -1.775
 Raman2 Fr= 1--       6.884                  0.466                  1.233
 ROA2   Fr= 1--      -1.302                 16.659                 -9.400
 CID2   Fr= 1--      -0.189                 35.734                 -7.625
 Raman3 Fr= 1--      13.767                  0.932                  2.465
 ROA3   Fr= 1--      -8.834                 76.402                -36.502
 CID3   Fr= 1--      -0.642                 81.944                -14.805
 RC180  Fr= 1--       0.315                 -0.823                 -0.760
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.04   0.15    -0.09   0.03   0.11    -0.00  -0.16   0.02
     2   6    -0.01  -0.04   0.07     0.07  -0.02  -0.01     0.08   0.22   0.08
     3   6    -0.21   0.06  -0.10    -0.10  -0.03   0.05     0.02   0.11   0.09
     4   6     0.01   0.01  -0.07    -0.04   0.08   0.03    -0.08  -0.22  -0.07
     5   6     0.20   0.03  -0.14    -0.08  -0.00  -0.04    -0.00   0.15  -0.02
     6   6     0.24  -0.07   0.12    -0.07   0.07  -0.02    -0.03  -0.11  -0.10
     7   6    -0.02  -0.01   0.03     0.17  -0.07  -0.06     0.03   0.08   0.01
     8   6     0.00   0.01   0.01     0.00   0.02   0.04    -0.00  -0.02  -0.06
     9   6     0.00  -0.00   0.00    -0.01   0.02  -0.00     0.02  -0.07   0.01
    10   6     0.01   0.00   0.00    -0.03   0.00   0.01    -0.07   0.01  -0.01
    11   6    -0.00   0.08  -0.11     0.11   0.01  -0.10    -0.02  -0.01   0.02
    12   6     0.02   0.12  -0.01     0.18  -0.03  -0.01     0.16   0.03  -0.04
    13   8    -0.02  -0.11  -0.09    -0.02  -0.00   0.10    -0.04  -0.01   0.02
    14   8    -0.00   0.04   0.14    -0.08  -0.02  -0.04    -0.05  -0.01   0.01
    15   1    -0.11  -0.03   0.19    -0.22  -0.08   0.01    -0.07  -0.33  -0.06
    16   1    -0.17   0.09  -0.12    -0.12  -0.25  -0.04     0.12   0.34   0.12
    17   1     0.13   0.09  -0.15    -0.10  -0.23  -0.12     0.07   0.35   0.07
    18   1     0.21  -0.03   0.16    -0.19  -0.08   0.00    -0.12  -0.32  -0.12
    19   1     0.02  -0.10   0.04     0.21  -0.03  -0.05     0.03  -0.07   0.00
    20   1    -0.06   0.02   0.12     0.21  -0.04  -0.04    -0.08   0.08   0.14
    21   1     0.02   0.02   0.02    -0.08  -0.03   0.01    -0.02  -0.05  -0.06
    22   1     0.00  -0.01   0.00    -0.00   0.05  -0.03     0.02  -0.07   0.05
    23   1    -0.00  -0.01   0.00     0.01  -0.02  -0.00    -0.00   0.01   0.01
    24   1    -0.00   0.01  -0.01     0.01   0.03  -0.03     0.03  -0.11   0.07
    25   1     0.00   0.00  -0.00    -0.15  -0.03  -0.03     0.00   0.01   0.01
    26   1     0.02   0.00  -0.00    -0.07  -0.04  -0.05    -0.08   0.02   0.03
    27   1     0.01   0.00  -0.00     0.11  -0.05  -0.06    -0.14   0.03   0.03
    28   1    -0.04   0.04  -0.13     0.05   0.01  -0.12    -0.03   0.10   0.04
    29   6    -0.04  -0.05  -0.06     0.03   0.02  -0.00     0.01   0.01   0.02
    30   1     0.32   0.18   0.31     0.34   0.02  -0.38     0.21   0.04  -0.08
    31   1    -0.02  -0.12   0.05     0.07   0.14   0.21    -0.01  -0.08  -0.08
    32   1     0.06   0.02   0.12    -0.03   0.01   0.09     0.09   0.03  -0.01
    33   1    -0.14  -0.26  -0.12    -0.15  -0.13  -0.06     0.10   0.06   0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    806.3253               822.9534               838.2083
 Red. masses --      2.2055                 3.8156                 2.7210
 Frc consts  --      0.8448                 1.5225                 1.1264
 IR Inten    --      8.5112                 9.5522                 0.4200
 RamAct Fr= 1--     27.3914                 1.3075                 5.5658
  Dep-P Fr= 1--      0.0549                 0.2077                 0.0985
  Dep-U Fr= 1--      0.1041                 0.3439                 0.1793
 Alpha2 Fr= 1--      0.5347                 0.0174                 0.0978
 Beta2  Fr= 1--      0.4755                 0.0749                 0.1663
 AlphaG Fr= 1--      0.1087                 0.0199                -0.0318
 Gamma2 Fr= 1--     -1.6278                 1.1568                 3.7892
 Delta2 Fr= 1--     -1.2071                 0.2603                 2.6529
 Raman1 Fr= 1--     109.566                  5.230                 22.263
 ROA1   Fr= 1--    -194.894                119.378                448.657
 CID1   Fr= 1--      -1.779                 22.825                 20.152
 Raman2 Fr= 1--       5.706                  0.899                  1.996
 ROA2   Fr= 1--     -29.411                 25.680                 69.718
 CID2   Fr= 1--      -5.155                 28.552                 34.931
 Raman3 Fr= 1--      11.411                  1.799                  3.992
 ROA3   Fr= 1--    -194.894                119.378                448.657
 CID3   Fr= 1--     -17.079                 66.365                112.397
 RC180  Fr= 1--      -0.792                 -0.312                 -0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.04     0.07   0.02   0.02     0.02  -0.03   0.04
     2   6     0.02  -0.01  -0.01    -0.02  -0.11  -0.03     0.00   0.06   0.02
     3   6    -0.00  -0.07   0.03     0.06  -0.05   0.01     0.04  -0.02   0.07
     4   6    -0.01   0.08   0.03    -0.04   0.12   0.05    -0.04  -0.02  -0.01
     5   6    -0.00  -0.05  -0.05     0.05  -0.00  -0.10     0.05  -0.01  -0.07
     6   6     0.00  -0.03  -0.04     0.04   0.04  -0.04     0.04  -0.02  -0.06
     7   6     0.01   0.14   0.04    -0.15   0.05   0.08    -0.11  -0.09  -0.00
     8   6     0.01   0.00  -0.10    -0.01  -0.01  -0.02    -0.04  -0.04   0.08
     9   6     0.05  -0.12   0.03     0.00  -0.01  -0.00    -0.06   0.13  -0.03
    10   6    -0.09   0.01  -0.02     0.02  -0.01  -0.02     0.11  -0.02   0.02
    11   6     0.01   0.06  -0.08    -0.12   0.01   0.11    -0.07   0.11  -0.10
    12   6    -0.05  -0.06   0.05     0.31   0.04  -0.08    -0.03  -0.07   0.06
    13   8     0.04  -0.01   0.04    -0.06  -0.02   0.06     0.04  -0.02   0.07
    14   8     0.01  -0.02  -0.04    -0.07  -0.04  -0.01     0.00  -0.04  -0.07
    15   1    -0.02   0.33   0.15     0.12   0.14   0.08    -0.01  -0.07   0.02
    16   1     0.04   0.16   0.10     0.15  -0.16  -0.11     0.11   0.06   0.05
    17   1     0.07   0.27   0.08     0.13  -0.15  -0.11     0.17   0.26   0.06
    18   1     0.02   0.41   0.13     0.05   0.19   0.01     0.06   0.12  -0.02
    19   1     0.06  -0.04   0.05    -0.20   0.13   0.06    -0.18   0.02  -0.01
    20   1    -0.00   0.20   0.20    -0.09   0.03  -0.03    -0.22  -0.19  -0.14
    21   1     0.08   0.02  -0.08     0.12   0.08   0.01    -0.05  -0.03   0.07
    22   1     0.04  -0.20   0.12     0.00  -0.02   0.02    -0.05   0.25  -0.13
    23   1    -0.02   0.00   0.02    -0.01   0.04  -0.00     0.02   0.02  -0.02
    24   1     0.02  -0.16   0.11    -0.00  -0.04   0.04    -0.01   0.13  -0.09
    25   1     0.11   0.01   0.04     0.18   0.03   0.03    -0.03   0.02  -0.02
    26   1    -0.13   0.04   0.08     0.06   0.04   0.06     0.24  -0.02  -0.06
    27   1    -0.24   0.05   0.08    -0.14   0.05   0.07     0.14   0.00  -0.06
    28   1    -0.02  -0.05  -0.10    -0.20   0.26   0.14    -0.12   0.00  -0.13
    29   6     0.02   0.04  -0.01    -0.08  -0.06  -0.02     0.01   0.08   0.01
    30   1    -0.07  -0.07  -0.14     0.15  -0.01  -0.14    -0.07  -0.11  -0.24
    31   1     0.05   0.05   0.15    -0.13  -0.25  -0.29     0.03  -0.10   0.10
    32   1     0.03   0.07   0.16     0.08  -0.02  -0.11     0.22   0.21   0.31
    33   1    -0.12  -0.15  -0.07     0.15   0.11   0.05    -0.06  -0.21  -0.07
                     31                     32                     33
                      A                      A                      A
 Frequencies --    853.4059               858.9698               873.5504
 Red. masses --      1.3155                 3.2405                 1.8246
 Frc consts  --      0.5645                 1.4087                 0.8203
 IR Inten    --      1.0266                 4.0737                18.3742
 RamAct Fr= 1--      1.4203                14.6464                 5.6118
  Dep-P Fr= 1--      0.6019                 0.1638                 0.0427
  Dep-U Fr= 1--      0.7515                 0.2815                 0.0820
 Alpha2 Fr= 1--      0.0039                 0.2186                 0.1128
 Beta2  Fr= 1--      0.1779                 0.6870                 0.0767
 AlphaG Fr= 1--     -0.0067                -0.0701                 0.0591
 Gamma2 Fr= 1--     -0.4580                -0.1952                -1.3013
 Delta2 Fr= 1--     -0.4009                -0.7525                -0.5360
 Raman1 Fr= 1--       5.681                 58.586                 22.447
 ROA1   Fr= 1--     -56.799                -42.822               -142.079
 CID1   Fr= 1--      -9.998                 -0.731                 -6.330
 Raman2 Fr= 1--       2.135                  8.245                  0.920
 ROA2   Fr= 1--      -7.785                  1.335                -26.944
 CID2   Fr= 1--      -3.647                  0.162                -29.290
 Raman3 Fr= 1--       4.269                 16.489                  1.840
 ROA3   Fr= 1--     -56.799                -42.822               -142.079
 CID3   Fr= 1--     -13.304                 -2.597                -77.226
 RC180  Fr= 1--       0.503                 -0.437                 -0.836
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.03    -0.02  -0.06   0.14    -0.01  -0.08  -0.03
     2   6     0.01   0.02   0.01     0.02  -0.04  -0.02     0.02   0.11   0.04
     3   6     0.00   0.06   0.02     0.04  -0.07   0.15    -0.02  -0.07  -0.04
     4   6     0.00   0.02   0.01    -0.03   0.00   0.01     0.02   0.10   0.03
     5   6    -0.01  -0.07  -0.03     0.02   0.08  -0.14    -0.03  -0.05  -0.00
     6   6    -0.02  -0.07  -0.04    -0.05   0.08  -0.15    -0.02  -0.05  -0.00
     7   6     0.01  -0.02   0.01    -0.12   0.01   0.06     0.04  -0.04  -0.05
     8   6    -0.00  -0.01   0.00    -0.02  -0.03   0.01    -0.01  -0.03   0.03
     9   6    -0.01   0.01  -0.00    -0.02   0.03  -0.01    -0.03   0.05  -0.01
    10   6     0.00  -0.00   0.00     0.04  -0.02  -0.01     0.03  -0.01   0.02
    11   6     0.03  -0.03   0.03     0.15  -0.11   0.00     0.03  -0.02   0.05
    12   6     0.01   0.02  -0.02    -0.08   0.04  -0.02     0.05   0.02  -0.03
    13   8    -0.01   0.01  -0.02    -0.01   0.02  -0.08    -0.02   0.00  -0.01
    14   8    -0.00   0.01   0.02     0.02   0.05   0.06    -0.01   0.01   0.02
    15   1    -0.05  -0.42  -0.15    -0.13   0.12   0.15     0.06   0.50   0.18
    16   1    -0.04  -0.40  -0.14     0.15   0.00   0.11     0.04   0.48   0.16
    17   1     0.05   0.50   0.17     0.13  -0.18  -0.18    -0.03   0.27   0.10
    18   1     0.03   0.49   0.17    -0.16  -0.06  -0.13    -0.01   0.23   0.11
    19   1    -0.01   0.03   0.00    -0.19   0.12   0.05     0.05  -0.14  -0.05
    20   1     0.01  -0.03  -0.04    -0.12  -0.04  -0.07    -0.09  -0.06   0.02
    21   1     0.01   0.01   0.00     0.07   0.05   0.03    -0.13  -0.10  -0.00
    22   1    -0.00   0.03  -0.01    -0.01   0.07  -0.02    -0.02   0.12  -0.06
    23   1    -0.00   0.02  -0.00     0.00   0.05  -0.01     0.02  -0.01  -0.01
    24   1     0.01  -0.01   0.01     0.01  -0.00   0.01     0.00   0.06  -0.05
    25   1    -0.01  -0.00  -0.00     0.13   0.03   0.02    -0.15   0.00  -0.03
    26   1     0.00  -0.00  -0.00     0.12   0.02   0.03     0.10  -0.03  -0.07
    27   1     0.00  -0.00  -0.00    -0.08   0.04   0.04     0.14  -0.01  -0.08
    28   1     0.04  -0.02   0.03     0.22  -0.17  -0.00     0.04   0.05   0.06
    29   6     0.00  -0.03  -0.00     0.06  -0.04   0.00    -0.02  -0.06  -0.02
    30   1     0.01   0.03   0.06     0.03   0.10   0.21     0.03   0.03   0.05
    31   1     0.00   0.06  -0.01     0.10   0.32   0.19    -0.03   0.04  -0.05
    32   1    -0.08  -0.07  -0.09    -0.28  -0.20  -0.19    -0.13  -0.13  -0.17
    33   1    -0.01   0.05   0.01    -0.10   0.09   0.01     0.01   0.08   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.1329               936.3125               954.7455
 Red. masses --      1.5045                 1.1988                 1.6012
 Frc consts  --      0.7135                 0.6192                 0.8600
 IR Inten    --      1.7278                 1.8709                 0.4041
 RamAct Fr= 1--      2.2389                 1.2125                 4.1283
  Dep-P Fr= 1--      0.7477                 0.4931                 0.7241
  Dep-U Fr= 1--      0.8556                 0.6605                 0.8400
 Alpha2 Fr= 1--      0.0001                 0.0062                 0.0018
 Beta2  Fr= 1--      0.3193                 0.1335                 0.5780
 AlphaG Fr= 1--     -0.0011                -0.0208                -0.0224
 Gamma2 Fr= 1--      0.6791                 0.3549                 0.8411
 Delta2 Fr= 1--      0.1689                 0.6857                -0.4008
 Raman1 Fr= 1--       8.956                  4.850                 16.513
 ROA1   Fr= 1--      70.597                 56.014                 67.924
 CID1   Fr= 1--       7.883                 11.549                  4.113
 Raman2 Fr= 1--       3.831                  1.602                  6.935
 ROA2   Fr= 1--      14.947                  3.032                 23.394
 CID2   Fr= 1--       3.901                  1.893                  3.373
 Raman3 Fr= 1--       7.663                  3.203                 13.871
 ROA3   Fr= 1--      70.597                 56.014                 67.924
 CID3   Fr= 1--       9.213                 17.486                  4.897
 RC180  Fr= 1--       0.711                  0.321                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.05    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     2   6     0.02   0.04   0.02     0.01   0.01   0.00    -0.01  -0.00   0.00
     3   6    -0.04  -0.00  -0.03    -0.01  -0.00  -0.01     0.01  -0.02   0.01
     4   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00   0.02   0.01
     5   6     0.01  -0.00   0.01    -0.00  -0.00   0.01     0.00  -0.09  -0.05
     6   6     0.00  -0.00  -0.02    -0.00  -0.00   0.00     0.01   0.09   0.01
     7   6     0.07  -0.07   0.14     0.02   0.00   0.01    -0.05  -0.09  -0.01
     8   6     0.00  -0.04  -0.02    -0.05   0.00  -0.01     0.07   0.07   0.01
     9   6    -0.02   0.01  -0.06    -0.07  -0.00   0.05     0.05  -0.02   0.03
    10   6    -0.03  -0.01  -0.02     0.04   0.03  -0.07    -0.06   0.07  -0.00
    11   6     0.00   0.01  -0.00     0.00   0.00   0.00     0.01   0.01   0.01
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.02   0.08  -0.02    -0.00   0.00  -0.01    -0.00  -0.01  -0.00
    16   1    -0.08   0.13   0.06    -0.02   0.03   0.01     0.02   0.08   0.04
    17   1     0.03   0.01   0.03    -0.01   0.02   0.01     0.09   0.53   0.17
    18   1     0.02  -0.01  -0.03    -0.00  -0.01   0.00    -0.05  -0.50  -0.21
    19   1    -0.09   0.49   0.11     0.03   0.02   0.01    -0.16  -0.00  -0.04
    20   1     0.18  -0.25  -0.42     0.05   0.02   0.01    -0.02  -0.12  -0.12
    21   1     0.14   0.26   0.03     0.25  -0.23   0.06     0.13   0.07   0.02
    22   1     0.01   0.13   0.10    -0.04   0.40  -0.28     0.02  -0.20   0.05
    23   1    -0.03   0.35  -0.03     0.25  -0.36   0.09    -0.03  -0.08   0.01
    24   1     0.08  -0.23   0.21     0.17  -0.06  -0.11    -0.07   0.11  -0.05
    25   1     0.11   0.01   0.02     0.44  -0.14   0.05    -0.00  -0.09   0.01
    26   1    -0.04   0.01   0.04    -0.31   0.01   0.17    -0.36  -0.01   0.04
    27   1    -0.14   0.01   0.07    -0.01  -0.09   0.16     0.13  -0.09   0.04
    28   1    -0.02  -0.00  -0.01    -0.00   0.00   0.00     0.01   0.01   0.01
    29   6    -0.00   0.00  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    30   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00   0.02    -0.00   0.00   0.00    -0.01   0.01  -0.00
    32   1    -0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.02  -0.02  -0.02
    33   1    -0.02  -0.02  -0.01    -0.00  -0.00  -0.00    -0.01   0.00  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    960.5993               972.2271               978.7170
 Red. masses --      1.6232                 1.4822                 1.3906
 Frc consts  --      0.8825                 0.8255                 0.7848
 IR Inten    --      0.1155                 0.0359                 0.0540
 RamAct Fr= 1--      2.4653                 2.0931                 0.5114
  Dep-P Fr= 1--      0.6559                 0.6393                 0.7363
  Dep-U Fr= 1--      0.7922                 0.7800                 0.8482
 Alpha2 Fr= 1--      0.0042                 0.0042                 0.0001
 Beta2  Fr= 1--      0.3255                 0.2721                 0.0723
 AlphaG Fr= 1--      0.0106                -0.0147                -0.0027
 Gamma2 Fr= 1--      1.1352                 0.8136                -0.7171
 Delta2 Fr= 1--      0.2852                -0.0001                 0.5083
 Raman1 Fr= 1--       9.861                  8.372                  2.045
 ROA1   Fr= 1--     118.103                 78.099                -52.581
 CID1   Fr= 1--      11.977                  9.328                -25.707
 Raman2 Fr= 1--       3.906                  3.265                  0.867
 ROA2   Fr= 1--      24.963                 19.527                -21.278
 CID2   Fr= 1--       6.391                  5.980                -24.530
 Raman3 Fr= 1--       7.812                  6.530                  1.735
 ROA3   Fr= 1--     118.103                 78.099                -52.581
 CID3   Fr= 1--      15.118                 11.959                -30.309
 RC180  Fr= 1--       0.584                  0.560                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02   0.01     0.00  -0.01   0.00     0.01   0.11   0.05
     2   6    -0.01   0.03   0.02    -0.01  -0.00  -0.00    -0.00  -0.03  -0.01
     3   6     0.01  -0.04  -0.00     0.01   0.01   0.01    -0.01  -0.11  -0.04
     4   6    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.01   0.02   0.01
     5   6     0.02   0.08   0.01     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
     6   6    -0.01  -0.09  -0.05     0.00   0.01   0.00    -0.00   0.01  -0.00
     7   6    -0.04  -0.10  -0.02    -0.02   0.02  -0.01    -0.00   0.03   0.00
     8   6     0.07   0.07   0.01    -0.07   0.06  -0.02    -0.03  -0.00  -0.01
     9   6     0.04  -0.02   0.03    -0.03  -0.12  -0.02    -0.01  -0.02  -0.01
    10   6    -0.05   0.08   0.00     0.10   0.07   0.04     0.03  -0.01   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.02   0.01
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.01  -0.10  -0.04     0.01   0.07   0.03    -0.07  -0.63  -0.22
    16   1     0.03   0.18   0.08     0.01  -0.10  -0.03     0.06   0.64   0.24
    17   1    -0.01  -0.45  -0.16     0.01   0.02  -0.00     0.00   0.04   0.02
    18   1     0.06   0.51   0.16     0.00  -0.03  -0.01    -0.01  -0.06  -0.02
    19   1    -0.17  -0.03  -0.05    -0.03  -0.01  -0.01     0.04   0.01   0.01
    20   1    -0.06  -0.16  -0.14    -0.03   0.02   0.02     0.03   0.07   0.06
    21   1     0.12   0.07   0.02    -0.26   0.19  -0.06    -0.07   0.02  -0.02
    22   1     0.02  -0.16   0.03     0.03   0.20   0.08     0.00   0.03   0.01
    23   1    -0.01  -0.09   0.01     0.08   0.16   0.03     0.00   0.03   0.00
    24   1    -0.05   0.09  -0.05     0.21  -0.45   0.26     0.03  -0.07   0.05
    25   1    -0.04  -0.11   0.01    -0.15  -0.12  -0.05    -0.00   0.02  -0.01
    26   1    -0.40  -0.03   0.02    -0.17  -0.09  -0.12     0.09  -0.00  -0.02
    27   1     0.20  -0.11   0.02     0.56  -0.15  -0.10     0.01   0.01  -0.02
    28   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.04   0.06   0.02
    29   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.01
    31   1     0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.02  -0.01  -0.03
    32   1     0.01   0.01   0.01     0.00   0.00   0.00    -0.02  -0.03  -0.04
    33   1     0.00  -0.01  -0.00     0.00   0.00   0.00     0.01   0.02   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.7872              1046.1459              1083.9346
 Red. masses --      1.9231                 2.8143                 2.1146
 Frc consts  --      1.1668                 1.8147                 1.4638
 IR Inten    --      2.6983                 3.9924                58.6672
 RamAct Fr= 1--      9.7846                 0.0749                 1.7325
  Dep-P Fr= 1--      0.2503                 0.7366                 0.7096
  Dep-U Fr= 1--      0.4004                 0.8483                 0.8301
 Alpha2 Fr= 1--      0.1159                 0.0000                 0.0012
 Beta2  Fr= 1--      0.6529                 0.0106                 0.2397
 AlphaG Fr= 1--      0.0209                 0.0003                 0.0046
 Gamma2 Fr= 1--     -0.2165                 0.0250                -0.8402
 Delta2 Fr= 1--     -1.4231                 0.0961                 0.9934
 Raman1 Fr= 1--      39.138                  0.300                  6.930
 ROA1   Fr= 1--     -66.326                  5.472                -48.871
 CID1   Fr= 1--      -1.695                 18.256                 -7.052
 Raman2 Fr= 1--       7.835                  0.127                  2.876
 ROA2   Fr= 1--       6.188                 -0.169                -28.112
 CID2   Fr= 1--       0.790                 -1.331                 -9.773
 Raman3 Fr= 1--      15.671                  0.254                  5.753
 ROA3   Fr= 1--     -66.326                  5.472                -48.871
 CID3   Fr= 1--      -4.233                 21.521                 -8.495
 RC180  Fr= 1--      -0.199                  0.697                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03   0.06     0.00   0.07  -0.19     0.01   0.01  -0.03
     2   6    -0.00   0.01  -0.02    -0.03   0.01  -0.00     0.00  -0.01   0.04
     3   6     0.00   0.01   0.04     0.05  -0.07   0.19    -0.02   0.01   0.00
     4   6     0.07  -0.02  -0.04    -0.04   0.00  -0.00     0.05  -0.03   0.02
     5   6     0.00   0.00   0.02     0.01   0.06  -0.18     0.02   0.02  -0.05
     6   6    -0.03   0.01  -0.03     0.05  -0.07   0.19    -0.05   0.01  -0.03
     7   6     0.01  -0.00   0.00     0.01  -0.00  -0.00     0.01   0.00   0.03
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.02   0.00  -0.04
     9   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.01   0.00   0.03
    10   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.01   0.02
    11   6     0.10   0.16  -0.02     0.01   0.02  -0.02     0.09   0.04   0.17
    12   6    -0.07  -0.02   0.04    -0.00   0.00   0.01    -0.01   0.08   0.04
    13   8     0.03  -0.01   0.02     0.00  -0.00   0.01    -0.00   0.01   0.00
    14   8     0.01  -0.02  -0.02     0.00  -0.00  -0.00    -0.01  -0.05  -0.09
    15   1    -0.11   0.06   0.06    -0.32   0.14  -0.31     0.06   0.01  -0.01
    16   1    -0.03  -0.15   0.01    -0.20  -0.11   0.36    -0.18  -0.04   0.11
    17   1    -0.02  -0.06  -0.01    -0.31   0.13  -0.30     0.08  -0.02  -0.04
    18   1    -0.00   0.03  -0.05    -0.20  -0.11   0.38    -0.19  -0.00   0.07
    19   1     0.04   0.02   0.01     0.09   0.03   0.01    -0.20  -0.02  -0.02
    20   1    -0.02  -0.02  -0.01     0.01  -0.01  -0.00     0.22   0.07   0.00
    21   1     0.03   0.02   0.01     0.02   0.02   0.01    -0.12  -0.11  -0.07
    22   1     0.00   0.01   0.01    -0.00   0.01   0.00    -0.01  -0.03  -0.04
    23   1    -0.00   0.02  -0.00    -0.00   0.02  -0.00     0.01  -0.11   0.02
    24   1     0.00  -0.01   0.01     0.01  -0.01   0.01    -0.01   0.07  -0.06
    25   1     0.02  -0.00   0.00     0.02   0.00   0.00    -0.07   0.01  -0.01
    26   1    -0.01   0.00   0.01    -0.00   0.00   0.01     0.06  -0.01  -0.04
    27   1    -0.02  -0.00   0.01    -0.02   0.00   0.01     0.04   0.01  -0.04
    28   1     0.44   0.45   0.11     0.10   0.07   0.01     0.06  -0.31   0.09
    29   6    -0.12  -0.09  -0.02    -0.00  -0.02   0.01    -0.06   0.01  -0.12
    30   1    -0.01  -0.04  -0.06    -0.00  -0.00  -0.01     0.08   0.07   0.27
    31   1    -0.19  -0.27  -0.44    -0.01   0.03  -0.04    -0.04  -0.25   0.07
    32   1     0.06  -0.06  -0.23    -0.03  -0.04  -0.07     0.12   0.14   0.28
    33   1     0.22   0.17   0.08     0.02   0.06   0.03    -0.17  -0.43  -0.23
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.1377              1107.2655              1138.5819
 Red. masses --      1.5649                 1.8178                 2.1576
 Frc consts  --      1.1098                 1.3131                 1.6480
 IR Inten    --     13.4805                32.1633                 6.8396
 RamAct Fr= 1--      2.4416                 5.1894                17.1667
  Dep-P Fr= 1--      0.5567                 0.1501                 0.3599
  Dep-U Fr= 1--      0.7152                 0.2611                 0.5293
 Alpha2 Fr= 1--      0.0090                 0.0802                 0.1459
 Beta2  Fr= 1--      0.2910                 0.2258                 1.5143
 AlphaG Fr= 1--     -0.0079                 0.0531                 0.0795
 Gamma2 Fr= 1--      1.5758                -0.8764                -1.3308
 Delta2 Fr= 1--      1.7282                -0.7469                -0.4857
 Raman1 Fr= 1--       9.766                 20.758                 68.667
 ROA1   Fr= 1--     206.576               -108.037               -143.299
 CID1   Fr= 1--      21.152                 -5.205                 -2.087
 Raman2 Fr= 1--       3.493                  2.710                 18.171
 ROA2   Fr= 1--      23.993                -15.059                -28.053
 CID2   Fr= 1--       6.870                 -5.557                 -1.544
 Raman3 Fr= 1--       6.985                  5.419                 36.343
 ROA3   Fr= 1--     206.576               -108.037               -143.299
 CID3   Fr= 1--      29.574                -19.935                 -3.943
 RC180  Fr= 1--       0.430                 -0.478                  0.059
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.05    -0.01   0.01  -0.03     0.02   0.02  -0.01
     2   6     0.01  -0.01   0.04     0.01  -0.00   0.05    -0.02  -0.06   0.00
     3   6    -0.03   0.02  -0.03    -0.02  -0.01   0.01    -0.02   0.00  -0.00
     4   6    -0.04  -0.05   0.03     0.05   0.03   0.02     0.02  -0.01   0.02
     5   6     0.02   0.01  -0.01     0.03  -0.00  -0.02     0.03   0.01  -0.03
     6   6     0.00   0.01  -0.02    -0.02   0.01  -0.04    -0.03   0.02  -0.01
     7   6     0.00  -0.01   0.05     0.02  -0.02   0.07     0.02   0.10   0.04
     8   6    -0.03   0.01  -0.05    -0.04   0.02  -0.08     0.17  -0.15  -0.03
     9   6     0.01  -0.00   0.04     0.02  -0.00   0.05    -0.07   0.05  -0.06
    10   6     0.02  -0.01   0.02     0.02  -0.01   0.02    -0.08   0.07   0.08
    11   6    -0.02   0.11  -0.00    -0.01  -0.09  -0.10    -0.00   0.00  -0.01
    12   6    -0.02  -0.01   0.02     0.00  -0.06  -0.04    -0.01  -0.03  -0.01
    13   8     0.02  -0.02   0.03    -0.01   0.01  -0.03    -0.00   0.00  -0.01
    14   8     0.01  -0.01  -0.00     0.01   0.04   0.07     0.01   0.01   0.02
    15   1     0.12   0.00  -0.01    -0.03   0.03  -0.03     0.17  -0.09   0.03
    16   1    -0.10  -0.04  -0.00    -0.18   0.00   0.14    -0.15  -0.02   0.09
    17   1     0.16  -0.07   0.03     0.14   0.02   0.03     0.17  -0.03   0.02
    18   1    -0.04   0.00   0.01    -0.08   0.02   0.00    -0.17  -0.06   0.07
    19   1    -0.28  -0.01  -0.02    -0.38   0.01  -0.02    -0.08  -0.10   0.01
    20   1     0.27   0.08  -0.01     0.40   0.10  -0.03    -0.22  -0.01   0.02
    21   1    -0.15  -0.11  -0.08    -0.20  -0.15  -0.12     0.22  -0.44  -0.03
    22   1    -0.00  -0.06  -0.05    -0.01  -0.08  -0.07    -0.03   0.29  -0.09
    23   1     0.01  -0.15   0.02     0.01  -0.22   0.03     0.07   0.15  -0.02
    24   1    -0.02   0.09  -0.08    -0.03   0.13  -0.11     0.11  -0.10   0.00
    25   1    -0.07   0.01  -0.01    -0.10   0.02  -0.02    -0.40  -0.08  -0.02
    26   1     0.08  -0.02  -0.05     0.11  -0.02  -0.06    -0.23  -0.07  -0.11
    27   1     0.05   0.01  -0.05     0.06   0.02  -0.06     0.21  -0.04  -0.07
    28   1    -0.21   0.38   0.02     0.10  -0.04  -0.07    -0.06   0.07  -0.00
    29   6     0.07  -0.09  -0.03    -0.05   0.06   0.08    -0.00   0.00   0.00
    30   1    -0.03  -0.04  -0.09    -0.03  -0.03  -0.14    -0.02  -0.02  -0.08
    31   1     0.11   0.35   0.17    -0.10  -0.21  -0.22    -0.00  -0.01  -0.01
    32   1    -0.32  -0.26  -0.23     0.24   0.16   0.04     0.01   0.01   0.00
    33   1    -0.19   0.10  -0.02     0.26   0.12   0.13     0.00   0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.1833              1161.5240              1193.9285
 Red. masses --      1.5742                 2.0478                 1.7717
 Frc consts  --      1.2227                 1.6278                 1.4880
 IR Inten    --     39.8987               146.6821                10.4164
 RamAct Fr= 1--      2.1143                 0.8501                 2.4751
  Dep-P Fr= 1--      0.4803                 0.7212                 0.5613
  Dep-U Fr= 1--      0.6490                 0.8381                 0.7190
 Alpha2 Fr= 1--      0.0114                 0.0004                 0.0089
 Beta2  Fr= 1--      0.2287                 0.1187                 0.2966
 AlphaG Fr= 1--     -0.0118                 0.0037                -0.0004
 Gamma2 Fr= 1--     -0.4963                -0.9918                -1.7916
 Delta2 Fr= 1--     -0.9139                -0.4598                 0.4429
 Raman1 Fr= 1--       8.457                  3.400                  9.900
 ROA1   Fr= 1--     -76.893               -109.929               -157.822
 CID1   Fr= 1--      -9.092                -32.328                -15.941
 Raman2 Fr= 1--       2.744                  1.425                  3.559
 ROA2   Fr= 1--      -4.601                -20.125                -46.541
 CID2   Fr= 1--      -1.677                -14.125                -13.077
 Raman3 Fr= 1--       5.488                  2.850                  7.118
 ROA3   Fr= 1--     -76.893               -109.929               -157.822
 CID3   Fr= 1--     -14.010                -38.576                -22.172
 RC180  Fr= 1--       0.298                  0.676                  0.438
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01   0.01    -0.05  -0.00   0.02     0.00   0.00  -0.01
     2   6    -0.01  -0.01  -0.01    -0.01   0.00  -0.00     0.01  -0.00   0.01
     3   6     0.05  -0.01   0.01     0.06  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.04   0.02  -0.03     0.05  -0.02  -0.00    -0.00  -0.00   0.00
     5   6    -0.06  -0.01   0.03    -0.04   0.01  -0.01    -0.00   0.00  -0.00
     6   6     0.08  -0.01   0.00     0.03   0.00  -0.01     0.00   0.00  -0.00
     7   6     0.01   0.02   0.07     0.01  -0.00   0.02    -0.02  -0.04  -0.05
     8   6     0.03  -0.04  -0.06     0.00  -0.00  -0.02     0.12   0.14  -0.02
     9   6    -0.01   0.02   0.02    -0.00   0.00   0.01    -0.10  -0.06   0.04
    10   6    -0.01   0.02   0.04    -0.00   0.00   0.01    -0.05  -0.10   0.05
    11   6    -0.01  -0.01  -0.02     0.03   0.03   0.12     0.00  -0.00  -0.00
    12   6     0.01   0.07   0.04    -0.01  -0.14  -0.09     0.00   0.00   0.00
    13   8     0.01  -0.01   0.02    -0.02   0.03  -0.05     0.00  -0.00   0.00
    14   8    -0.01  -0.03  -0.07     0.03   0.04   0.12    -0.00  -0.00  -0.00
    15   1    -0.36   0.06  -0.11    -0.31   0.05  -0.07    -0.01   0.02  -0.01
    16   1     0.31   0.04  -0.16     0.24   0.01  -0.13    -0.02  -0.00   0.01
    17   1    -0.30   0.05  -0.05    -0.36   0.06  -0.14    -0.01   0.00  -0.00
    18   1     0.44   0.04  -0.26     0.19   0.02  -0.12     0.02   0.00  -0.02
    19   1    -0.22   0.02   0.02    -0.05   0.01   0.00    -0.20  -0.16  -0.09
    20   1     0.14   0.02  -0.04     0.05   0.00  -0.01     0.04   0.01  -0.01
    21   1    -0.03  -0.20  -0.08    -0.01  -0.03  -0.02     0.28   0.33   0.03
    22   1    -0.02   0.04  -0.08    -0.00   0.01  -0.02    -0.04   0.33  -0.11
    23   1     0.03  -0.09   0.01     0.01  -0.03   0.01     0.26  -0.15   0.11
    24   1     0.02   0.05  -0.07     0.00   0.01  -0.02     0.23  -0.25   0.02
    25   1    -0.19  -0.02  -0.02    -0.04   0.00  -0.00    -0.23   0.22   0.00
    26   1    -0.02  -0.04  -0.08     0.01  -0.01  -0.02     0.34   0.01  -0.03
    27   1     0.12  -0.01  -0.06     0.02   0.00  -0.02    -0.26   0.16  -0.09
    28   1     0.13  -0.16  -0.03    -0.22   0.25   0.12     0.00  -0.01  -0.00
    29   6     0.01  -0.01   0.02    -0.01   0.02  -0.09    -0.00  -0.00   0.00
    30   1     0.05   0.07   0.23    -0.08  -0.14  -0.44     0.00   0.00   0.01
    31   1     0.00   0.04  -0.01     0.02  -0.07   0.14    -0.00   0.00  -0.00
    32   1    -0.03  -0.04  -0.05     0.01   0.07   0.17    -0.00  -0.00  -0.00
    33   1     0.03   0.07   0.04    -0.16  -0.25  -0.17     0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1211.8261              1221.8768              1236.3067
 Red. masses --      1.2711                 2.1347                 2.3457
 Frc consts  --      1.0998                 1.8778                 2.1124
 IR Inten    --      3.7377                 8.9347                 2.3819
 RamAct Fr= 1--     44.8783                33.9117                29.9743
  Dep-P Fr= 1--      0.1011                 0.1584                 0.1250
  Dep-U Fr= 1--      0.1836                 0.2735                 0.2222
 Alpha2 Fr= 1--      0.7837                 0.5131                 0.4934
 Beta2  Fr= 1--      1.3732                 1.5459                 1.1100
 AlphaG Fr= 1--     -0.1424                -0.0174                 0.0312
 Gamma2 Fr= 1--     -1.6325                 0.4882                 1.2606
 Delta2 Fr= 1--      0.2786                -0.2641                 0.0528
 Raman1 Fr= 1--     179.513                135.647                119.897
 ROA1   Fr= 1--    -147.801                 38.410                122.702
 CID1   Fr= 1--      -0.823                  0.283                  1.023
 Raman2 Fr= 1--      16.479                 18.551                 13.320
 ROA2   Fr= 1--     -41.408                 13.829                 29.831
 CID2   Fr= 1--      -2.513                  0.745                  2.240
 Raman3 Fr= 1--      32.957                 37.101                 26.640
 ROA3   Fr= 1--    -147.801                 38.410                122.702
 CID3   Fr= 1--      -4.485                  1.035                  4.606
 RC180  Fr= 1--      -0.633                 -0.453                 -0.556
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.04    -0.10  -0.00   0.04     0.03   0.00  -0.01
     2   6     0.04  -0.00  -0.01    -0.04   0.00   0.02     0.28  -0.04  -0.02
     3   6     0.01   0.01  -0.03     0.09   0.00  -0.03    -0.07   0.03  -0.05
     4   6    -0.10   0.01   0.00     0.22  -0.02   0.00     0.04  -0.01   0.01
     5   6     0.02  -0.02   0.04     0.06   0.00  -0.03    -0.07  -0.01   0.05
     6   6    -0.00  -0.02   0.05    -0.08   0.02  -0.03     0.05   0.01  -0.03
     7   6    -0.02   0.00   0.01     0.02  -0.00  -0.01    -0.10   0.03   0.01
     8   6     0.00  -0.00  -0.00     0.00   0.00   0.02    -0.00  -0.00   0.06
     9   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.01  -0.00  -0.03
    10   6     0.00   0.00   0.00    -0.00  -0.00  -0.01     0.01   0.01  -0.02
    11   6     0.04   0.00   0.01    -0.10  -0.01  -0.02     0.01  -0.01  -0.01
    12   6    -0.00  -0.01  -0.01    -0.00   0.03   0.02    -0.00   0.00   0.00
    13   8    -0.00   0.01  -0.01     0.01  -0.02   0.03     0.00  -0.00   0.01
    14   8     0.00   0.00   0.01    -0.01  -0.01  -0.04    -0.00   0.00  -0.01
    15   1    -0.38   0.10  -0.18    -0.49   0.09  -0.10    -0.30   0.08  -0.15
    16   1     0.38   0.07  -0.30     0.21   0.02  -0.11    -0.31  -0.01   0.11
    17   1     0.50  -0.13   0.23     0.03   0.01  -0.05    -0.41   0.06  -0.07
    18   1    -0.30  -0.06   0.26    -0.42  -0.03   0.20    -0.16  -0.03   0.14
    19   1    -0.07  -0.00  -0.00     0.02  -0.01  -0.01    -0.50  -0.19  -0.08
    20   1    -0.04  -0.00   0.00     0.08   0.03   0.03    -0.24  -0.02   0.03
    21   1    -0.00  -0.01  -0.00     0.01  -0.02   0.02    -0.05  -0.08   0.05
    22   1    -0.00   0.00  -0.00     0.00   0.01   0.02     0.01  -0.01   0.07
    23   1     0.00   0.00   0.00    -0.00   0.04  -0.01    -0.03   0.11  -0.03
    24   1     0.00  -0.00   0.00     0.00  -0.03   0.02    -0.02  -0.04   0.06
    25   1    -0.01  -0.00  -0.00     0.02   0.00   0.00     0.08  -0.03   0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.01   0.02    -0.06   0.02   0.05
    27   1     0.01   0.00  -0.00    -0.02  -0.00   0.01    -0.01  -0.02   0.05
    28   1     0.22  -0.02   0.03    -0.52   0.04  -0.09    -0.13   0.02  -0.03
    29   6    -0.01   0.00  -0.02     0.02  -0.01   0.04    -0.01   0.00   0.01
    30   1    -0.01  -0.02  -0.06     0.03   0.06   0.19     0.01   0.02   0.07
    31   1    -0.00  -0.02   0.02     0.01   0.05  -0.03    -0.01  -0.02  -0.04
    32   1     0.03   0.03   0.03    -0.07  -0.06  -0.07     0.01  -0.00  -0.03
    33   1     0.01  -0.03  -0.02    -0.01   0.10   0.06     0.02   0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1248.7401              1280.4584              1309.5396
 Red. masses --      1.6066                 1.7882                 1.6120
 Frc consts  --      1.4761                 1.7274                 1.6288
 IR Inten    --      1.3063                 2.5781                 3.7615
 RamAct Fr= 1--      5.2871                 3.6514                 3.1656
  Dep-P Fr= 1--      0.5231                 0.5948                 0.6763
  Dep-U Fr= 1--      0.6869                 0.7459                 0.8069
 Alpha2 Fr= 1--      0.0233                 0.0105                 0.0041
 Beta2  Fr= 1--      0.6053                 0.4539                 0.4257
 AlphaG Fr= 1--     -0.0395                -0.0081                -0.0172
 Gamma2 Fr= 1--     -2.4167                 0.2330                -1.8163
 Delta2 Fr= 1--      0.0503                -0.5436                 0.9140
 Raman1 Fr= 1--      21.149                 14.605                 12.663
 ROA1   Fr= 1--    -230.391                  4.979               -145.123
 CID1   Fr= 1--     -10.894                  0.341                -11.461
 Raman2 Fr= 1--       7.263                  5.447                  5.109
 ROA2   Fr= 1--     -58.403                  9.942                -50.904
 CID2   Fr= 1--      -8.041                  1.825                 -9.964
 Raman3 Fr= 1--      14.527                 10.895                 10.217
 ROA3   Fr= 1--    -230.391                  4.979               -145.123
 CID3   Fr= 1--     -15.860                  0.457                -14.204
 RC180  Fr= 1--       0.374                  0.492                  0.614
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.04     0.02  -0.01   0.04     0.03  -0.01   0.02
     2   6    -0.06  -0.01   0.08     0.01   0.01  -0.03     0.00   0.01  -0.03
     3   6     0.03  -0.00  -0.01    -0.01  -0.01   0.03    -0.02  -0.01   0.03
     4   6    -0.04  -0.01   0.04     0.07   0.03  -0.12     0.01   0.03  -0.09
     5   6    -0.01   0.01  -0.03     0.04  -0.02   0.04     0.03  -0.01   0.03
     6   6     0.01   0.00  -0.03    -0.04  -0.00   0.01    -0.03  -0.01   0.02
     7   6     0.01  -0.00  -0.06    -0.00  -0.00   0.00    -0.01  -0.01   0.00
     8   6     0.02   0.00   0.14     0.00   0.00   0.02    -0.00   0.00   0.00
     9   6    -0.00  -0.02  -0.09     0.00  -0.00  -0.01     0.00  -0.00  -0.01
    10   6    -0.01  -0.00  -0.05    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    11   6     0.02  -0.00  -0.01    -0.15   0.05   0.04    -0.07  -0.07   0.00
    12   6    -0.01  -0.00   0.00     0.04   0.06   0.02     0.01  -0.10  -0.06
    13   8     0.00   0.00   0.00    -0.02   0.00  -0.05     0.02   0.00   0.05
    14   8     0.00   0.00   0.00     0.01  -0.03   0.03    -0.02   0.05  -0.03
    15   1     0.01   0.02  -0.02    -0.21   0.04  -0.04    -0.12   0.03  -0.03
    16   1     0.05   0.01  -0.02    -0.23  -0.05   0.19    -0.12  -0.02   0.10
    17   1     0.12  -0.01   0.02     0.10  -0.04   0.06     0.10  -0.02   0.06
    18   1     0.20   0.05  -0.15     0.04   0.02  -0.05     0.08   0.01  -0.05
    19   1    -0.32  -0.29  -0.14    -0.13  -0.05  -0.03    -0.04   0.00  -0.01
    20   1     0.47   0.28   0.17     0.10   0.05   0.02     0.10   0.05   0.02
    21   1     0.09  -0.23   0.16     0.02  -0.06   0.02     0.07  -0.05   0.02
    22   1     0.03   0.06   0.16     0.01   0.01   0.02     0.00   0.00   0.01
    23   1    -0.05   0.31  -0.07    -0.01   0.04  -0.01    -0.01   0.02  -0.01
    24   1    -0.03  -0.15   0.15    -0.01  -0.02   0.02    -0.01  -0.01   0.01
    25   1     0.14  -0.02   0.01     0.01  -0.00   0.00    -0.01  -0.00   0.00
    26   1    -0.05   0.05   0.11    -0.00   0.01   0.01     0.01  -0.00  -0.00
    27   1    -0.08  -0.04   0.10    -0.01  -0.01   0.01     0.01  -0.00  -0.00
    28   1     0.03   0.01  -0.00     0.53  -0.38   0.07     0.28   0.51   0.20
    29   6    -0.01   0.00   0.00     0.05  -0.02  -0.01     0.03   0.03  -0.05
    30   1     0.00   0.00   0.00    -0.09  -0.17  -0.43     0.09   0.23   0.58
    31   1    -0.01  -0.02  -0.02     0.06   0.12   0.07     0.07   0.02   0.16
    32   1     0.03   0.01  -0.00    -0.14  -0.08   0.01    -0.02   0.05   0.15
    33   1     0.02   0.00   0.01    -0.15   0.02  -0.04    -0.09  -0.09  -0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1318.8183              1349.4374              1363.4578
 Red. masses --      1.3454                 2.1942                 1.5518
 Frc consts  --      1.3787                 2.3542                 1.6997
 IR Inten    --      1.6020                 1.2761                 1.3672
 RamAct Fr= 1--     19.9664                 4.5740                 3.1185
  Dep-P Fr= 1--      0.3034                 0.6362                 0.4690
  Dep-U Fr= 1--      0.4656                 0.7777                 0.6386
 Alpha2 Fr= 1--      0.2027                 0.0094                 0.0177
 Beta2  Fr= 1--      1.5493                 0.5928                 0.3319
 AlphaG Fr= 1--     -0.0702                 0.0844                 0.0173
 Gamma2 Fr= 1--     -2.8893                 7.0238                 0.5145
 Delta2 Fr= 1--     -0.1921                 3.3112                 0.2911
 Raman1 Fr= 1--      79.866                 18.296                 12.474
 ROA1   Fr= 1--    -283.525                780.242                 58.703
 CID1   Fr= 1--      -3.550                 42.645                  4.706
 Raman2 Fr= 1--      18.591                  7.114                  3.983
 ROA2   Fr= 1--     -67.807                142.081                 10.018
 CID2   Fr= 1--      -3.647                 19.972                  2.515
 Raman3 Fr= 1--      37.182                 14.228                  7.965
 ROA3   Fr= 1--    -283.525                780.242                 58.703
 CID3   Fr= 1--      -7.625                 54.837                  7.370
 RC180  Fr= 1--      -0.069                  0.555                  0.277
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01   0.01    -0.07   0.02  -0.03    -0.09   0.01  -0.02
     2   6     0.05   0.03  -0.02     0.03  -0.07   0.18     0.01   0.01  -0.00
     3   6    -0.02   0.00  -0.00     0.10   0.02  -0.08     0.04   0.00  -0.02
     4   6    -0.00   0.00  -0.00     0.02  -0.02   0.06     0.03  -0.03   0.10
     5   6    -0.00  -0.01   0.02    -0.12   0.03  -0.05    -0.03   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.07   0.02  -0.06     0.08   0.01  -0.05
     7   6    -0.11  -0.05  -0.03    -0.00   0.03  -0.05    -0.04  -0.03   0.02
     8   6    -0.05  -0.02  -0.04    -0.04  -0.07  -0.03     0.04   0.05   0.00
     9   6     0.02  -0.00  -0.01     0.01   0.02   0.03    -0.01  -0.01  -0.01
    10   6     0.00   0.02   0.06     0.01   0.02   0.02    -0.01  -0.01  -0.01
    11   6     0.01   0.01   0.00    -0.04  -0.02  -0.01    -0.08  -0.03  -0.02
    12   6    -0.00   0.01   0.01     0.01   0.00   0.00     0.01   0.01   0.01
    13   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.02   0.01    -0.22   0.05  -0.09     0.33  -0.08   0.14
    16   1     0.00   0.01  -0.02    -0.34  -0.05   0.23     0.16   0.03  -0.10
    17   1    -0.10   0.02  -0.02     0.33  -0.08   0.13    -0.24   0.05  -0.07
    18   1    -0.08  -0.00   0.06     0.14   0.02  -0.11    -0.33  -0.04   0.24
    19   1     0.29   0.22   0.07     0.25  -0.02   0.01     0.13   0.17   0.06
    20   1     0.45   0.28   0.19    -0.18  -0.01   0.04     0.05   0.01   0.02
    21   1     0.61  -0.06   0.13     0.22   0.46   0.06    -0.18  -0.32  -0.07
    22   1     0.01  -0.01  -0.01    -0.01  -0.01  -0.09     0.01   0.03   0.04
    23   1    -0.06   0.07  -0.03    -0.04  -0.08   0.01     0.05   0.05   0.00
    24   1    -0.04   0.02   0.00    -0.01   0.08  -0.05     0.02  -0.03  -0.00
    25   1    -0.14  -0.02   0.01    -0.03  -0.06   0.00     0.03   0.05   0.00
    26   1     0.06  -0.04  -0.11    -0.02  -0.03  -0.07     0.02   0.02   0.03
    27   1     0.16  -0.00  -0.08     0.07  -0.01  -0.01    -0.02   0.01  -0.02
    28   1    -0.07  -0.04  -0.03     0.27   0.08   0.07     0.53   0.14   0.13
    29   6    -0.01  -0.00   0.01     0.01   0.01  -0.01     0.02   0.01  -0.02
    30   1    -0.01  -0.02  -0.05    -0.00   0.00   0.01    -0.01  -0.01  -0.01
    31   1    -0.01  -0.01  -0.02     0.02   0.01   0.01     0.04   0.02   0.07
    32   1     0.01  -0.00  -0.02    -0.02   0.00   0.02    -0.03   0.01   0.09
    33   1     0.02   0.01   0.01    -0.06  -0.03  -0.03    -0.06  -0.01  -0.04
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.2949              1374.7353              1392.5279
 Red. masses --      1.4812                 1.3002                 1.9960
 Frc consts  --      1.6435                 1.4477                 2.2804
 IR Inten    --      0.6630                 2.0564                42.0235
 RamAct Fr= 1--      5.5926                17.2444                 3.7662
  Dep-P Fr= 1--      0.2606                 0.5231                 0.7466
  Dep-U Fr= 1--      0.4135                 0.6868                 0.8549
 Alpha2 Fr= 1--      0.0643                 0.0761                 0.0002
 Beta2  Fr= 1--      0.3854                 1.9740                 0.5366
 AlphaG Fr= 1--      0.1454                 0.0446                -0.0043
 Gamma2 Fr= 1--      2.7054                -0.2006                 1.1326
 Delta2 Fr= 1--      0.0006                -1.9216                -1.6923
 Raman1 Fr= 1--      22.370                 68.978                 15.065
 ROA1   Fr= 1--     259.732                -80.753                 54.573
 CID1   Fr= 1--      11.611                 -1.171                  3.623
 Raman2 Fr= 1--       4.625                 23.689                  6.440
 ROA2   Fr= 1--      64.924                 10.557                 40.720
 CID2   Fr= 1--      14.038                  0.446                  6.323
 Raman3 Fr= 1--       9.250                 47.377                 12.879
 ROA3   Fr= 1--     259.732                -80.753                 54.573
 CID3   Fr= 1--      28.080                 -1.704                  4.237
 RC180  Fr= 1--      -0.173                  0.374                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01    -0.01   0.01  -0.01     0.03  -0.01   0.01
     2   6    -0.02  -0.01   0.00    -0.02   0.02  -0.05    -0.00   0.00   0.00
     3   6     0.01  -0.00   0.00    -0.03  -0.01   0.02    -0.01   0.00  -0.00
     4   6     0.00  -0.01   0.02     0.01  -0.01   0.03    -0.00   0.02  -0.01
     5   6     0.00   0.00  -0.01     0.04  -0.01   0.01     0.02  -0.00  -0.00
     6   6     0.01   0.00  -0.00     0.00   0.00  -0.01    -0.03  -0.00   0.01
     7   6     0.10   0.03   0.02     0.04   0.04  -0.01    -0.00  -0.00  -0.00
     8   6    -0.14   0.08  -0.02    -0.03  -0.11   0.01     0.00   0.00   0.00
     9   6     0.04   0.01  -0.03     0.00   0.02   0.03    -0.00   0.00  -0.00
    10   6     0.01  -0.02   0.04     0.01   0.03  -0.00    -0.00  -0.00  -0.00
    11   6    -0.01  -0.00  -0.00    -0.03  -0.01  -0.01     0.02  -0.17  -0.02
    12   6     0.00   0.00   0.00     0.00   0.01   0.01    -0.04   0.18   0.11
    13   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.02  -0.03
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.06  -0.01
    15   1     0.07  -0.02   0.02     0.20  -0.05   0.07    -0.12   0.03  -0.05
    16   1     0.05   0.00  -0.03     0.22   0.03  -0.15    -0.02   0.01   0.01
    17   1    -0.01   0.01  -0.01    -0.23   0.06  -0.09     0.02   0.03   0.00
    18   1    -0.03  -0.02   0.02    -0.19  -0.03   0.12     0.08   0.02  -0.07
    19   1    -0.24  -0.18  -0.07    -0.32  -0.29  -0.11     0.02   0.02   0.00
    20   1    -0.36  -0.23  -0.15     0.14   0.07  -0.02    -0.01  -0.00   0.01
    21   1     0.60  -0.34   0.15     0.16   0.62   0.09    -0.02  -0.02  -0.01
    22   1     0.02  -0.19   0.10    -0.01   0.03  -0.09    -0.00  -0.01   0.00
    23   1    -0.08  -0.08  -0.06    -0.05  -0.05   0.01     0.00  -0.01  -0.00
    24   1    -0.03  -0.09   0.17    -0.03   0.08  -0.04     0.01  -0.01   0.01
    25   1    -0.04   0.06   0.02    -0.05  -0.11  -0.02     0.01   0.00   0.00
    26   1     0.12  -0.03  -0.06    -0.06  -0.02  -0.03     0.01   0.00   0.00
    27   1     0.07   0.04  -0.11     0.01  -0.03   0.07     0.00  -0.00  -0.00
    28   1     0.07   0.02   0.02     0.18   0.06   0.05    -0.09   0.74   0.17
    29   6     0.00   0.00  -0.00     0.01   0.00  -0.01     0.01   0.06  -0.02
    30   1    -0.00  -0.00  -0.01    -0.01  -0.01  -0.02    -0.07  -0.17  -0.41
    31   1     0.00   0.00   0.01     0.02   0.01   0.04     0.03  -0.17   0.10
    32   1    -0.00   0.00   0.01    -0.01   0.01   0.05    -0.06   0.03   0.01
    33   1    -0.01   0.00  -0.00    -0.01   0.01  -0.01     0.03  -0.20  -0.08
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.6256              1416.0924              1423.3031
 Red. masses --      1.2575                 1.2211                 1.2351
 Frc consts  --      1.4597                 1.4427                 1.4741
 IR Inten    --      5.7652                11.3766                 6.4359
 RamAct Fr= 1--      0.0650                 1.1968                 1.5591
  Dep-P Fr= 1--      0.5081                 0.5253                 0.4069
  Dep-U Fr= 1--      0.6738                 0.6888                 0.5784
 Alpha2 Fr= 1--      0.0003                 0.0052                 0.0113
 Beta2  Fr= 1--      0.0073                 0.1374                 0.1503
 AlphaG Fr= 1--      0.0013                 0.0015                 0.0008
 Gamma2 Fr= 1--     -0.0572                -0.2144                -0.0363
 Delta2 Fr= 1--     -0.0043                 0.0984                -0.1465
 Raman1 Fr= 1--       0.260                  4.787                  6.236
 ROA1   Fr= 1--      -5.629                -17.429                 -8.177
 CID1   Fr= 1--     -21.654                 -3.641                 -1.311
 Raman2 Fr= 1--       0.088                  1.649                  1.804
 ROA2   Fr= 1--      -1.339                 -5.932                  0.300
 CID2   Fr= 1--     -15.285                 -3.598                  0.166
 Raman3 Fr= 1--       0.175                  3.297                  3.607
 ROA3   Fr= 1--      -5.629                -17.429                 -8.177
 CID3   Fr= 1--     -32.135                 -5.286                 -2.267
 RC180  Fr= 1--       0.348                  0.378                  0.157
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
     7   6    -0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
     8   6     0.03  -0.03   0.01     0.00   0.00  -0.00    -0.00   0.01  -0.00
     9   6    -0.03   0.09  -0.03     0.00  -0.00   0.00     0.03  -0.09   0.04
    10   6    -0.11   0.02   0.00     0.00  -0.00   0.00    -0.09   0.01   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.02   0.02    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    15   1     0.01  -0.00   0.00    -0.05   0.01  -0.02    -0.00  -0.00  -0.00
    16   1     0.01   0.00  -0.01    -0.03  -0.01   0.01     0.01   0.00  -0.01
    17   1    -0.01   0.00  -0.01    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    18   1    -0.01   0.00   0.00     0.02   0.01  -0.02     0.00  -0.00  -0.00
    19   1     0.01  -0.01   0.00     0.02   0.01   0.00    -0.07   0.00  -0.01
    20   1     0.06   0.04   0.01    -0.02  -0.00   0.00    -0.09  -0.04   0.00
    21   1    -0.07   0.08  -0.01    -0.00  -0.01  -0.00     0.02  -0.02  -0.00
    22   1    -0.07  -0.33   0.15     0.00   0.00  -0.00     0.06   0.36  -0.18
    23   1     0.17  -0.34  -0.00    -0.00   0.01   0.00    -0.14   0.40   0.03
    24   1     0.21  -0.23   0.19    -0.00   0.00  -0.00    -0.19   0.26  -0.27
    25   1     0.41  -0.10   0.14     0.00   0.00   0.00     0.37  -0.02   0.14
    26   1     0.39   0.11  -0.11    -0.00  -0.00   0.00     0.35   0.09  -0.10
    27   1     0.35  -0.21  -0.09    -0.00   0.00  -0.00     0.31  -0.15  -0.15
    28   1     0.01  -0.01  -0.00    -0.02   0.05   0.01     0.00   0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.06  -0.09  -0.08     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.01  -0.02  -0.05     0.00  -0.00  -0.00
    31   1     0.00   0.00   0.00     0.05   0.38   0.37    -0.00  -0.00  -0.00
    32   1     0.00   0.00   0.00     0.35   0.17   0.44    -0.00  -0.00  -0.00
    33   1     0.00   0.01   0.00     0.30   0.48   0.12    -0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.1284              1485.6355              1490.3193
 Red. masses --      2.4823                 1.0759                 1.0465
 Frc consts  --      3.1181                 1.3990                 1.3695
 IR Inten    --      8.3591                 0.4670                 1.7558
 RamAct Fr= 1--      0.5542                 1.5840                10.5511
  Dep-P Fr= 1--      0.7363                 0.6463                 0.7195
  Dep-U Fr= 1--      0.8481                 0.7852                 0.8369
 Alpha2 Fr= 1--      0.0001                 0.0030                 0.0055
 Beta2  Fr= 1--      0.0783                 0.2073                 1.4716
 AlphaG Fr= 1--      0.0041                 0.0280                -0.0122
 Gamma2 Fr= 1--     -2.8510                 1.1346                 2.1343
 Delta2 Fr= 1--      1.2722                -0.2935                -0.3034
 Raman1 Fr= 1--       2.217                  6.336                 42.204
 ROA1   Fr= 1--    -232.987                 99.535                195.182
 CID1   Fr= 1--    -105.095                 15.710                  4.625
 Raman2 Fr= 1--       0.940                  2.487                 17.660
 ROA2   Fr= 1--     -78.602                 29.579                 53.650
 CID2   Fr= 1--     -83.612                 11.892                  3.038
 Raman3 Fr= 1--       1.880                  4.975                 35.319
 ROA3   Fr= 1--    -232.987                 99.535                195.182
 CID3   Fr= 1--    -123.919                 20.008                  5.526
 RC180  Fr= 1--       0.696                  0.570                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.00  -0.05    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.02  -0.05   0.14    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.14   0.02  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.02  -0.05   0.14    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.14   0.00  -0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.14   0.02  -0.02     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.01   0.00  -0.04     0.05  -0.03  -0.03     0.02  -0.01  -0.01
     8   6     0.00   0.01  -0.00    -0.01   0.01   0.00    -0.01   0.00  -0.00
     9   6    -0.00   0.00   0.00    -0.03  -0.01  -0.00    -0.00   0.01   0.03
    10   6     0.00  -0.01   0.00     0.01   0.03   0.01    -0.00  -0.01  -0.04
    11   6    -0.04   0.02  -0.04     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.02  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    15   1    -0.29   0.11  -0.22     0.02  -0.00   0.01     0.01   0.00   0.01
    16   1     0.25   0.09  -0.31    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    17   1    -0.32   0.11  -0.23     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1     0.21   0.08  -0.28     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   1     0.20   0.13   0.02    -0.25   0.38  -0.07    -0.11   0.17  -0.03
    20   1    -0.19  -0.02   0.09    -0.19   0.06   0.40    -0.08   0.03   0.18
    21   1    -0.01  -0.03  -0.01     0.03   0.01   0.01     0.06  -0.02   0.01
    22   1    -0.01  -0.03  -0.03    -0.01  -0.13   0.20    -0.08  -0.25  -0.35
    23   1    -0.01   0.01  -0.00     0.32   0.15   0.09    -0.17   0.18  -0.01
    24   1     0.03  -0.02  -0.01     0.11   0.07  -0.24     0.32  -0.12  -0.12
    25   1     0.02   0.04   0.01    -0.02  -0.40  -0.01    -0.24   0.17  -0.09
    26   1    -0.04  -0.02  -0.00     0.10  -0.08  -0.28     0.13   0.23   0.43
    27   1    -0.01   0.03  -0.05    -0.18   0.04   0.17     0.16  -0.29   0.25
    28   1     0.35  -0.07   0.02    -0.01   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.01   0.00   0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00   0.01   0.04    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.01  -0.07     0.00  -0.00   0.00    -0.00   0.01  -0.00
    32   1    -0.03  -0.01   0.01    -0.00  -0.00  -0.00     0.01   0.00  -0.01
    33   1    -0.09   0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.01  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.1482              1497.7682              1498.7956
 Red. masses --      1.0467                 1.0755                 1.0551
 Frc consts  --      1.3731                 1.4215                 1.3965
 IR Inten    --      4.6917                 2.3269                 9.5376
 RamAct Fr= 1--      5.3623                 3.0466                 5.0159
  Dep-P Fr= 1--      0.6193                 0.7374                 0.6809
  Dep-U Fr= 1--      0.7649                 0.8489                 0.8102
 Alpha2 Fr= 1--      0.0128                 0.0007                 0.0061
 Beta2  Fr= 1--      0.6836                 0.4310                 0.6773
 AlphaG Fr= 1--      0.0162                 0.0009                 0.0510
 Gamma2 Fr= 1--     -0.5178                 0.4415                 0.4612
 Delta2 Fr= 1--     -1.0993                -1.0340                 1.6891
 Raman1 Fr= 1--      21.449                 12.186                 20.064
 ROA1   Fr= 1--     -84.881                  9.295                 98.321
 CID1   Fr= 1--      -3.957                  0.763                  4.900
 Raman2 Fr= 1--       8.203                  5.172                  8.127
 ROA2   Fr= 1--      -3.632                 18.868                 -2.445
 CID2   Fr= 1--      -0.443                  3.648                 -0.301
 Raman3 Fr= 1--      16.406                 10.345                 16.255
 ROA3   Fr= 1--     -84.881                  9.295                 98.321
 CID3   Fr= 1--      -5.174                  0.899                  6.049
 RC180  Fr= 1--       0.530                  0.698                  0.620
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.01  -0.00  -0.00    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     3   6    -0.01  -0.00   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.01  -0.00   0.00
     5   6    -0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.01     0.01   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00     0.04  -0.03  -0.03    -0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.02  -0.02   0.01    -0.00   0.00  -0.00
     9   6    -0.00  -0.00   0.00     0.02   0.02  -0.00    -0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00    -0.01  -0.02   0.01     0.00   0.00  -0.00
    11   6     0.02  -0.00  -0.01     0.00   0.00   0.00    -0.02   0.03  -0.01
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    14   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.02  -0.00   0.01     0.03  -0.00   0.02    -0.01   0.00  -0.01
    16   1     0.01   0.00  -0.01    -0.01  -0.01   0.01    -0.01  -0.01  -0.00
    17   1     0.03  -0.01   0.01     0.00  -0.00   0.01    -0.01   0.00  -0.01
    18   1     0.02   0.00  -0.01    -0.01  -0.00   0.01    -0.00   0.00  -0.00
    19   1     0.00  -0.00   0.00    -0.24   0.38  -0.07     0.04  -0.05   0.01
    20   1     0.00  -0.00  -0.00    -0.14   0.10   0.43     0.01  -0.01  -0.05
    21   1     0.00  -0.00   0.00    -0.05   0.07  -0.00     0.01  -0.01   0.00
    22   1    -0.00  -0.01  -0.00     0.01   0.13  -0.18    -0.00  -0.02   0.02
    23   1     0.00   0.01   0.00    -0.31  -0.21  -0.09     0.04   0.03   0.01
    24   1     0.01  -0.00  -0.01    -0.12  -0.09   0.29     0.02   0.01  -0.04
    25   1    -0.00  -0.00  -0.00     0.16   0.24   0.06    -0.02  -0.02  -0.01
    26   1     0.00   0.00   0.00    -0.20  -0.09  -0.02     0.02   0.01   0.01
    27   1     0.00  -0.01   0.01     0.04   0.16  -0.30    -0.00  -0.02   0.03
    28   1    -0.06  -0.02  -0.04    -0.01  -0.01  -0.01     0.02  -0.09  -0.03
    29   6     0.04   0.01  -0.03    -0.00   0.00  -0.00    -0.03   0.03  -0.03
    30   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.02
    31   1    -0.00  -0.47  -0.10     0.01  -0.05   0.07     0.08  -0.33   0.56
    32   1    -0.47  -0.08   0.51    -0.05  -0.02  -0.02    -0.31  -0.12  -0.20
    33   1    -0.18   0.48   0.06     0.08  -0.01   0.01     0.61  -0.10   0.05
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.4930              1511.5411              1551.6388
 Red. masses --      1.0527                 1.0509                 2.4468
 Frc consts  --      1.4039                 1.4147                 3.4708
 IR Inten    --      4.7131                12.5894                26.1709
 RamAct Fr= 1--      7.5431                 0.8957                 0.1531
  Dep-P Fr= 1--      0.7341                 0.4689                 0.5123
  Dep-U Fr= 1--      0.8466                 0.6384                 0.6775
 Alpha2 Fr= 1--      0.0021                 0.0051                 0.0007
 Beta2  Fr= 1--      1.0644                 0.0953                 0.0173
 AlphaG Fr= 1--      0.0101                -0.0036                 0.0076
 Gamma2 Fr= 1--     -0.6119                -1.3941                 0.2644
 Delta2 Fr= 1--      0.1778                -0.3126                 0.0411
 Raman1 Fr= 1--      30.173                  3.583                  0.612
 ROA1   Fr= 1--     -53.054               -143.840                 26.700
 CID1   Fr= 1--      -1.758                -40.148                 43.608
 Raman2 Fr= 1--      12.773                  1.144                  0.207
 ROA2   Fr= 1--     -16.108                -30.959                  6.017
 CID2   Fr= 1--      -1.261                -27.071                 29.013
 Raman3 Fr= 1--      25.545                  2.287                  0.415
 ROA3   Fr= 1--     -53.054               -143.840                 26.700
 CID3   Fr= 1--      -2.077                -62.887                 64.367
 RC180  Fr= 1--       0.693                  0.277                  0.355
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.16  -0.01  -0.02
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     4   6     0.00  -0.00   0.01    -0.00  -0.00   0.00     0.16  -0.01  -0.02
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.11   0.04  -0.08
     6   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.08  -0.03   0.11
     7   6    -0.00  -0.01  -0.00     0.02  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.02   0.03  -0.01    -0.01  -0.03  -0.03    -0.00  -0.00  -0.00
     9   6     0.03  -0.00  -0.01    -0.01  -0.01  -0.03     0.00  -0.00  -0.00
    10   6    -0.01   0.03  -0.02    -0.00  -0.02  -0.02     0.00   0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.01
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.01   0.01  -0.00    -0.01  -0.00  -0.01     0.43  -0.08   0.10
    16   1    -0.00   0.00  -0.00    -0.01  -0.00   0.00     0.42   0.05  -0.24
    17   1    -0.00   0.00  -0.01    -0.01   0.00  -0.00     0.43  -0.08   0.10
    18   1     0.01   0.00  -0.01    -0.00  -0.00   0.00     0.40   0.04  -0.22
    19   1     0.02   0.05   0.00    -0.06   0.12  -0.01    -0.04   0.02   0.00
    20   1    -0.03  -0.01   0.02    -0.06   0.02   0.12    -0.04   0.01   0.02
    21   1    -0.02  -0.04  -0.03     0.04   0.08  -0.02     0.01   0.00   0.00
    22   1     0.06   0.28  -0.07     0.08   0.21   0.49     0.00   0.01   0.01
    23   1    -0.28  -0.28  -0.09     0.35  -0.16   0.05     0.00  -0.01  -0.00
    24   1    -0.28  -0.04   0.35    -0.33   0.19   0.01    -0.02   0.01   0.00
    25   1    -0.20  -0.40  -0.08    -0.15   0.30  -0.05    -0.01   0.01  -0.00
    26   1     0.30   0.09  -0.06     0.01   0.17   0.38    -0.00   0.01   0.01
    27   1    -0.11  -0.20   0.42     0.20  -0.19   0.05     0.02  -0.01  -0.00
    28   1     0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.03   0.01   0.01
    29   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00  -0.00
    30   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.01   0.01    -0.00  -0.00  -0.00     0.00   0.06   0.03
    32   1    -0.01  -0.00  -0.00    -0.00  -0.00   0.00     0.05   0.01  -0.04
    33   1     0.01  -0.00   0.00    -0.00   0.00   0.00     0.03  -0.04  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.1596              1658.1202              1805.9255
 Red. masses --      6.0232                 5.7989                 9.5438
 Frc consts  --      9.2922                 9.3935                18.3389
 IR Inten    --      0.0137                 0.9588               273.1766
 RamAct Fr= 1--      2.1112               131.7230                16.8101
  Dep-P Fr= 1--      0.6785                 0.4704                 0.1727
  Dep-U Fr= 1--      0.8084                 0.6398                 0.2946
 Alpha2 Fr= 1--      0.0027                 0.7423                 0.2452
 Beta2  Fr= 1--      0.2845                14.0460                 0.8254
 AlphaG Fr= 1--     -0.0421                -0.1301                -0.5192
 Gamma2 Fr= 1--      0.1607                -1.5992                -2.4414
 Delta2 Fr= 1--     -0.1265                -0.3793                 0.7941
 Raman1 Fr= 1--       8.445                526.892                 67.241
 ROA1   Fr= 1--      11.383               -165.660               -208.969
 CID1   Fr= 1--       1.348                 -0.314                 -3.108
 Raman2 Fr= 1--       3.414                168.551                  9.904
 ROA2   Fr= 1--       4.870                -35.346                -64.947
 CID2   Fr= 1--       1.427                 -0.210                 -6.558
 Raman3 Fr= 1--       6.827                337.103                 19.809
 ROA3   Fr= 1--      11.383               -165.660               -208.969
 CID3   Fr= 1--       1.667                 -0.491                -10.549
 RC180  Fr= 1--       0.617                  0.280                 -0.411
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.08   0.18     0.30  -0.04   0.04    -0.01   0.00  -0.00
     2   6    -0.04   0.12  -0.32    -0.21   0.01   0.02     0.00  -0.00   0.00
     3   6     0.08   0.07  -0.21    -0.27  -0.01   0.11     0.01  -0.00   0.00
     4   6     0.04  -0.12   0.33     0.19  -0.01  -0.02    -0.02   0.00  -0.00
     5   6    -0.11   0.08  -0.18    -0.29   0.04  -0.04     0.01  -0.00   0.00
     6   6    -0.08  -0.07   0.21     0.28   0.01  -0.11    -0.01   0.00   0.00
     7   6     0.01  -0.01   0.04     0.03  -0.00  -0.01    -0.00   0.00  -0.00
     8   6     0.00  -0.01   0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6    -0.02   0.02  -0.04    -0.02  -0.00   0.00    -0.01   0.04  -0.04
    12   6    -0.00  -0.01   0.00     0.00   0.00   0.02     0.25  -0.31   0.58
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.16   0.17  -0.38
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.02  -0.05
    15   1    -0.30   0.02   0.03    -0.31   0.10  -0.19     0.02  -0.00   0.00
    16   1    -0.32   0.01   0.06     0.26   0.07  -0.28     0.02  -0.02  -0.01
    17   1     0.29  -0.02  -0.04     0.29  -0.10   0.18    -0.02   0.01  -0.01
    18   1     0.30  -0.01  -0.05    -0.25  -0.07   0.27     0.00   0.00  -0.01
    19   1    -0.24  -0.01  -0.03     0.01   0.01  -0.01     0.00  -0.00   0.00
    20   1     0.16   0.04  -0.00     0.03   0.01   0.01     0.00   0.00  -0.00
    21   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.00   0.00  -0.00
    22   1    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01    -0.00  -0.00   0.00
    23   1    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   1     0.01  -0.00  -0.01     0.01  -0.01   0.00    -0.00   0.00  -0.00
    25   1     0.01   0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.02  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    27   1     0.00   0.01  -0.02    -0.01   0.00   0.00     0.00  -0.00  -0.00
    28   1     0.28  -0.04   0.01    -0.02   0.01   0.00    -0.11   0.20  -0.00
    29   6    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.01   0.00   0.01
    30   1     0.00   0.01   0.01     0.00   0.00   0.00     0.09   0.16   0.43
    31   1     0.00  -0.02   0.01     0.00   0.02   0.02     0.02  -0.03   0.01
    32   1    -0.02  -0.00   0.00     0.02   0.00  -0.00    -0.06  -0.04  -0.09
    33   1     0.02   0.02   0.01     0.02  -0.00   0.00     0.02  -0.06   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.0980              3018.6726              3020.6560
 Red. masses --      1.0813                 1.0501                 1.0406
 Frc consts  --      5.7455                 5.6378                 5.5941
 IR Inten    --      3.8294                 8.6114                43.1538
 RamAct Fr= 1--    131.8492                13.0732                29.8772
  Dep-P Fr= 1--      0.1880                 0.6505                 0.2569
  Dep-U Fr= 1--      0.3164                 0.7883                 0.4088
 Alpha2 Fr= 1--      1.8483                 0.0233                 0.3473
 Beta2  Fr= 1--      6.9536                 1.7175                 2.0358
 AlphaG Fr= 1--      0.9948                 0.0664                -0.1890
 Gamma2 Fr= 1--      9.8490                -3.9093                 0.6150
 Delta2 Fr= 1--      6.0055                -2.0731                -3.2555
 Raman1 Fr= 1--     527.397                 52.293                119.509
 ROA1   Fr= 1--    1137.682               -441.636                -45.139
 CID1   Fr= 1--       2.157                 -8.445                 -0.378
 Raman2 Fr= 1--      83.443                 20.610                 24.430
 ROA2   Fr= 1--     188.332                -77.239                 40.802
 CID2   Fr= 1--       2.257                 -3.748                  1.670
 Raman3 Fr= 1--     166.886                 41.220                 48.859
 ROA3   Fr= 1--    1137.682               -441.636                -45.139
 CID3   Fr= 1--       6.817                -10.714                 -0.924
 RC180  Fr= 1--      -0.367                  0.577                 -0.182
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00   0.00   0.02     0.03  -0.04  -0.03    -0.01   0.02   0.01
     8   6     0.02   0.00  -0.08     0.00  -0.00  -0.01     0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.03  -0.03
    10   6    -0.00  -0.00   0.01    -0.03   0.01   0.01    -0.03   0.00   0.01
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.00  -0.00   0.00     0.01   0.00  -0.01    -0.00  -0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    17   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.01   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1     0.05   0.01  -0.23    -0.11  -0.03   0.52     0.06   0.01  -0.28
    20   1     0.00  -0.01   0.01    -0.19   0.48  -0.21     0.10  -0.24   0.11
    21   1    -0.23  -0.03   0.91    -0.02  -0.00   0.09     0.00   0.00  -0.01
    22   1    -0.00   0.00   0.00    -0.02   0.00   0.00     0.28  -0.03  -0.04
    23   1     0.04   0.01  -0.17     0.01   0.00  -0.06    -0.12  -0.03   0.53
    24   1    -0.01  -0.00  -0.00     0.01   0.01   0.01    -0.17  -0.25  -0.18
    25   1     0.04   0.00  -0.12     0.12   0.01  -0.42     0.11   0.01  -0.38
    26   1    -0.01   0.04  -0.01     0.08  -0.29   0.13     0.08  -0.27   0.12
    27   1    -0.02  -0.03  -0.02     0.14   0.22   0.15     0.14   0.22   0.15
    28   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.9855              3047.2654              3056.5326
 Red. masses --      1.0435                 1.0356                 1.1034
 Frc consts  --      5.6333                 5.6656                 6.0735
 IR Inten    --     47.1351                25.5373                15.4116
 RamAct Fr= 1--    408.6904               217.4880                28.7817
  Dep-P Fr= 1--      0.0090                 0.0612                 0.7206
  Dep-U Fr= 1--      0.0178                 0.1154                 0.8376
 Alpha2 Fr= 1--      8.8939                 4.1825                 0.0146
 Beta2  Fr= 1--      1.2094                 4.1823                 4.0181
 AlphaG Fr= 1--     -0.9680                -0.2595                -0.1491
 Gamma2 Fr= 1--     -1.7157                 0.7506                -0.7643
 Delta2 Fr= 1--     -0.0333                 3.5165                 1.7888
 Raman1 Fr= 1--    1634.762                869.952                115.127
 ROA1   Fr= 1--    -165.767                184.586                -16.136
 CID1   Fr= 1--      -0.101                  0.212                 -0.140
 Raman2 Fr= 1--      14.513                 50.188                 48.217
 ROA2   Fr= 1--     -40.910                -10.118                -32.654
 CID2   Fr= 1--      -2.819                 -0.202                 -0.677
 Raman3 Fr= 1--      29.026                100.376                 96.433
 ROA3   Fr= 1--    -165.767                184.586                -16.136
 CID3   Fr= 1--      -5.711                  1.839                 -0.167
 RC180  Fr= 1--      -0.964                 -0.769                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.02  -0.03  -0.01     0.00  -0.00   0.00    -0.01   0.05  -0.08
     8   6     0.00  -0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.01
     9   6    -0.00   0.03  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    10   6     0.03  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.00   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    16   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
    19   1    -0.05  -0.01   0.26    -0.00  -0.00   0.00    -0.16  -0.01   0.68
    20   1    -0.13   0.31  -0.13    -0.00   0.00  -0.00     0.24  -0.58   0.23
    21   1    -0.04  -0.01   0.17    -0.00  -0.00   0.00    -0.03  -0.00   0.13
    22   1     0.30  -0.04  -0.04     0.00  -0.00  -0.00     0.05  -0.01  -0.00
    23   1    -0.11  -0.03   0.50    -0.00  -0.00   0.00     0.01   0.00  -0.04
    24   1    -0.18  -0.26  -0.18    -0.00  -0.00  -0.00    -0.04  -0.06  -0.04
    25   1    -0.09  -0.01   0.32    -0.00  -0.00   0.00     0.03   0.00  -0.10
    26   1    -0.08   0.27  -0.12    -0.00   0.00  -0.00    -0.03   0.11  -0.04
    27   1    -0.13  -0.21  -0.14    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01
    28   1    -0.00  -0.00   0.00    -0.01  -0.01   0.04    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.03  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    31   1    -0.00   0.00   0.00     0.66  -0.03  -0.13     0.00  -0.00  -0.00
    32   1     0.00  -0.00   0.00    -0.20   0.53  -0.10    -0.00   0.00  -0.00
    33   1     0.00   0.00  -0.00    -0.08  -0.11   0.44    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.4312              3077.9775              3084.3799
 Red. masses --      1.0840                 1.0995                 1.0994
 Frc consts  --      6.0211                 6.1374                 6.1623
 IR Inten    --      6.7513                10.5037                55.5737
 RamAct Fr= 1--     65.3601                22.2284               106.6875
  Dep-P Fr= 1--      0.1906                 0.7402                 0.4509
  Dep-U Fr= 1--      0.3202                 0.8507                 0.6215
 Alpha2 Fr= 1--      0.9099                 0.0037                 0.6517
 Beta2  Fr= 1--      3.4880                 3.1516                11.0513
 AlphaG Fr= 1--     -0.0263                -0.0204                -1.3177
 Gamma2 Fr= 1--     -1.0278                -9.0231                 5.2852
 Delta2 Fr= 1--     -3.1432                 3.4276               -13.5359
 Raman1 Fr= 1--     261.440                 88.913                426.750
 ROA1   Fr= 1--    -199.256               -756.540                 74.226
 CID1   Fr= 1--      -0.762                 -8.509                  0.174
 Raman2 Fr= 1--      41.856                 37.819                132.615
 ROA2   Fr= 1--       0.478               -243.976                235.131
 CID2   Fr= 1--       0.011                 -6.451                  1.773
 Raman3 Fr= 1--      83.712                 75.638                265.230
 ROA3   Fr= 1--    -199.256               -756.540                 74.226
 CID3   Fr= 1--      -2.380                -10.002                  0.280
 RC180  Fr= 1--      -0.360                  0.701                  0.243
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.02
     9   6     0.00   0.00   0.00    -0.00   0.03   0.05     0.00   0.03   0.06
    10   6    -0.00   0.00   0.00    -0.01   0.01  -0.07     0.00  -0.03   0.05
    11   6     0.01   0.02  -0.08    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    13   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    16   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1     0.01   0.01  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.01
    19   1     0.00   0.00  -0.00    -0.01  -0.00   0.04     0.02  -0.00  -0.11
    20   1     0.00   0.00  -0.00     0.01  -0.03   0.01    -0.03   0.09  -0.03
    21   1     0.00   0.00  -0.00    -0.01  -0.00   0.04     0.05   0.01  -0.19
    22   1     0.00  -0.00   0.00     0.17  -0.02  -0.00     0.15  -0.02  -0.00
    23   1     0.00   0.00  -0.00     0.09   0.03  -0.37     0.10   0.04  -0.43
    24   1    -0.00  -0.00  -0.00    -0.24  -0.36  -0.23    -0.26  -0.39  -0.25
    25   1     0.00   0.00  -0.00    -0.16  -0.01   0.53     0.12   0.00  -0.41
    26   1     0.00  -0.00   0.00     0.10  -0.33   0.13    -0.13   0.43  -0.18
    27   1    -0.00  -0.00  -0.00     0.18   0.27   0.16    -0.04  -0.06  -0.02
    28   1    -0.18  -0.22   0.94     0.00   0.00  -0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1     0.04  -0.00  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   1     0.03   0.04  -0.15    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3089.8929              3103.8650              3110.9439
 Red. masses --      1.1013                 1.1002                 1.1023
 Frc consts  --      6.1952                 6.2450                 6.2854
 IR Inten    --     42.8225                32.7264                27.0852
 RamAct Fr= 1--    116.0530                49.1341               100.8441
  Dep-P Fr= 1--      0.6577                 0.6974                 0.6859
  Dep-U Fr= 1--      0.7935                 0.8217                 0.8137
 Alpha2 Fr= 1--      0.1914                 0.0451                 0.1135
 Beta2  Fr= 1--     15.3484                 6.7291                13.6765
 AlphaG Fr= 1--     -0.2348                -0.1285                 0.0796
 Gamma2 Fr= 1--      2.5840                -8.7843                 0.5676
 Delta2 Fr= 1--      7.6354                -0.0896                -4.9125
 Raman1 Fr= 1--     464.212                196.536                403.376
 ROA1   Fr= 1--     492.395               -846.157               -102.715
 CID1   Fr= 1--       1.061                 -4.305                 -0.255
 Raman2 Fr= 1--     184.181                 80.750                164.118
 ROA2   Fr= 1--       0.933               -210.106                 52.922
 CID2   Fr= 1--       0.005                 -2.602                  0.322
 Raman3 Fr= 1--     368.362                161.499                328.236
 ROA3   Fr= 1--     492.395               -846.157               -102.715
 CID3   Fr= 1--       1.337                 -5.239                 -0.313
 RC180  Fr= 1--       0.587                  0.643                  0.627
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     9   6     0.00  -0.01  -0.02    -0.09  -0.02   0.00     0.00   0.00   0.00
    10   6    -0.02  -0.09  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1    -0.00   0.00   0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
    20   1    -0.01   0.02  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.01  -0.00   0.05     0.01   0.00  -0.03     0.00  -0.00  -0.00
    22   1    -0.09   0.01   0.01     0.86  -0.13  -0.09    -0.01   0.00   0.00
    23   1    -0.03  -0.01   0.13     0.02   0.01  -0.17    -0.00   0.00   0.00
    24   1     0.08   0.11   0.07     0.20   0.32   0.22    -0.00  -0.00  -0.00
    25   1    -0.04  -0.02   0.12     0.00  -0.00  -0.00     0.00   0.00  -0.00
    26   1    -0.16   0.49  -0.23    -0.01   0.02  -0.01     0.00  -0.00   0.00
    27   1     0.38   0.56   0.38     0.02   0.02   0.02    -0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.01   0.01  -0.05
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.08   0.05   0.02
    30   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.69  -0.01  -0.13
    32   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.22  -0.63   0.12
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.06  -0.19
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.8176              3157.0589              3164.7686
 Red. masses --      1.1014                 1.0866                 1.0875
 Frc consts  --      6.3566                 6.3812                 6.4173
 IR Inten    --     12.7379                11.7241                10.9165
 RamAct Fr= 1--     26.9230                52.3287                49.4933
  Dep-P Fr= 1--      0.6809                 0.6960                 0.6007
  Dep-U Fr= 1--      0.8101                 0.8208                 0.7506
 Alpha2 Fr= 1--      0.0328                 0.0494                 0.1367
 Beta2  Fr= 1--      3.6352                 7.1582                 6.1915
 AlphaG Fr= 1--      0.0588                 0.0612                -0.0947
 Gamma2 Fr= 1--     -1.1857                -0.1303                -1.7043
 Delta2 Fr= 1--      2.2365                -0.8930                 1.7847
 Raman1 Fr= 1--     107.692                209.315                197.973
 ROA1   Fr= 1--     -42.256                -41.085               -106.505
 CID1   Fr= 1--      -0.392                 -0.196                 -0.538
 Raman2 Fr= 1--      43.623                 85.898                 74.298
 ROA2   Fr= 1--     -46.347                  4.017                -55.181
 CID2   Fr= 1--      -1.062                  0.047                 -0.743
 Raman3 Fr= 1--      87.246                171.796                148.595
 ROA3   Fr= 1--     -42.256                -41.085               -106.505
 CID3   Fr= 1--      -0.484                 -0.239                 -0.717
 RC180  Fr= 1--       0.620                  0.642                  0.501
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.03   0.02  -0.07
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.01   0.03
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.02  -0.01   0.04     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.04   0.02  -0.05    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.01     0.01   0.01  -0.02    -0.35  -0.24   0.78
    16   1    -0.02   0.01  -0.03     0.02  -0.01   0.02    -0.26   0.15  -0.34
    17   1     0.01   0.01  -0.02     0.23   0.16  -0.52    -0.01  -0.01   0.03
    18   1     0.00  -0.00   0.00     0.46  -0.26   0.60     0.04  -0.02   0.05
    19   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00   0.02
    20   1     0.00  -0.00   0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
    21   1    -0.00  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    24   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1    -0.03  -0.03   0.15     0.01   0.00  -0.02    -0.00   0.00  -0.00
    29   6     0.01   0.05  -0.08    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    31   1    -0.19   0.02   0.02     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    32   1     0.16  -0.42   0.07    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    33   1    -0.13  -0.19   0.82     0.00   0.00  -0.01     0.00   0.01  -0.02
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3174.9148              3184.4944              3723.4207
 Red. masses --      1.0936                 1.0934                 1.0639
 Frc consts  --      6.4951                 6.5331                 8.6906
 IR Inten    --     16.5349                 3.8802                62.9100
 RamAct Fr= 1--    119.8564               120.6063               121.8468
  Dep-P Fr= 1--      0.1475                 0.1244                 0.2446
  Dep-U Fr= 1--      0.2571                 0.2213                 0.3931
 Alpha2 Fr= 1--      1.8646                 1.9880                 1.4660
 Beta2  Fr= 1--      5.1357                 4.4492                 7.9822
 AlphaG Fr= 1--      0.0836                -0.3147                -0.3864
 Gamma2 Fr= 1--      1.1851                 0.4811                -5.9624
 Delta2 Fr= 1--      0.6044                -1.2315                 0.0020
 Raman1 Fr= 1--     479.426                482.425                487.387
 ROA1   Fr= 1--     133.112                  6.778               -572.324
 CID1   Fr= 1--       0.278                  0.014                 -1.174
 Raman2 Fr= 1--      61.629                 53.390                 95.786
 ROA2   Fr= 1--      23.607                 21.398               -143.113
 CID2   Fr= 1--       0.383                  0.401                 -1.494
 Raman3 Fr= 1--     123.257                106.781                191.572
 ROA3   Fr= 1--     133.112                  6.778               -572.324
 CID3   Fr= 1--       1.080                  0.063                 -2.988
 RC180  Fr= 1--      -0.486                 -0.557                 -0.214
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.02   0.01  -0.04     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01   0.00  -0.01    -0.05   0.03  -0.06     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.03   0.02  -0.06    -0.00  -0.00   0.01     0.00   0.00   0.00
     6   6    -0.03   0.02  -0.04     0.00  -0.00   0.01    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.02  -0.06   0.01
    15   1     0.00   0.00  -0.01    -0.18  -0.13   0.40    -0.00  -0.00   0.00
    16   1     0.07  -0.04   0.09     0.51  -0.29   0.65     0.00   0.00  -0.00
    17   1    -0.32  -0.22   0.70     0.03   0.02  -0.07     0.00   0.00  -0.00
    18   1     0.34  -0.19   0.43    -0.04   0.02  -0.06    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    20   1     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    28   1    -0.01  -0.00   0.02     0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.28   0.93  -0.23
    31   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.01    -0.00  -0.01   0.03    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1336.314586890.985537245.92905
           X            0.99985   0.01732   0.00018
           Y           -0.01732   0.99979  -0.01114
           Z           -0.00038   0.01113   0.99994
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06482     0.01257     0.01195
 Rotational constants (GHZ):           1.35054     0.26190     0.24907
 Zero-point vibrational energy     746012.6 (Joules/Mol)
                                  178.30130 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.85    52.57    65.71    77.72    97.13
          (Kelvin)            155.90   230.59   284.90   321.33   329.89
                              359.75   367.12   429.12   462.77   501.58
                              556.61   590.95   603.62   611.34   650.61
                              793.31   814.56   891.06   925.04   957.77
                             1036.70  1085.12  1160.12  1184.05  1205.99
                             1227.86  1235.87  1256.84  1290.77  1347.14
                             1373.67  1382.09  1398.82  1408.16  1460.05
                             1505.17  1559.54  1578.54  1593.11  1638.17
                             1651.98  1671.17  1717.80  1743.55  1758.01
                             1778.77  1796.66  1842.29  1884.14  1897.49
                             1941.54  1961.71  1974.43  1977.94  2003.54
                             2019.50  2037.44  2047.82  2100.80  2137.50
                             2144.24  2146.87  2154.95  2156.43  2164.63
                             2174.77  2232.46  2328.17  2385.67  2598.32
                             4320.79  4343.20  4346.05  4355.16  4384.34
                             4397.67  4417.67  4428.52  4437.73  4445.67
                             4465.77  4475.95  4503.11  4542.30  4553.40
                             4567.99  4581.78  5357.17
 
 Zero-point correction=                           0.284141 (Hartree/Particle)
 Thermal correction to Energy=                    0.299830
 Thermal correction to Enthalpy=                  0.300775
 Thermal correction to Gibbs Free Energy=         0.239420
 Sum of electronic and zero-point Energies=           -656.740223
 Sum of electronic and thermal Energies=              -656.724534
 Sum of electronic and thermal Enthalpies=            -656.723590
 Sum of electronic and thermal Free Energies=         -656.784944
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.146             58.737            129.131
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.567
 Vibrational            186.369             52.776             54.690
 Vibration     1          0.593              1.985              6.198
 Vibration     2          0.594              1.982              5.439
 Vibration     3          0.595              1.979              4.997
 Vibration     4          0.596              1.976              4.665
 Vibration     5          0.598              1.970              4.225
 Vibration     6          0.606              1.943              3.298
 Vibration     7          0.622              1.891              2.547
 Vibration     8          0.637              1.843              2.151
 Vibration     9          0.649              1.806              1.932
 Vibration    10          0.652              1.796              1.885
 Vibration    11          0.663              1.763              1.730
 Vibration    12          0.666              1.754              1.695
 Vibration    13          0.691              1.677              1.427
 Vibration    14          0.707              1.632              1.302
 Vibration    15          0.726              1.578              1.172
 Vibration    16          0.755              1.498              1.012
 Vibration    17          0.775              1.447              0.924
 Vibration    18          0.782              1.428              0.894
 Vibration    19          0.787              1.416              0.875
 Vibration    20          0.811              1.356              0.789
 Vibration    21          0.907              1.137              0.541
 Vibration    22          0.922              1.104              0.512
 Vibration    23          0.979              0.991              0.418
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.749076-110       -110.125474       -253.573275
 Total V=0       0.371788D+21         20.570295         47.364854
 Vib (Bot)       0.220227-124       -124.657130       -287.033648
 Vib (Bot)    1  0.831238D+01          0.919725          2.117746
 Vib (Bot)    2  0.566450D+01          0.753162          1.734219
 Vib (Bot)    3  0.452854D+01          0.655958          1.510399
 Vib (Bot)    4  0.382557D+01          0.582696          1.341707
 Vib (Bot)    5  0.305595D+01          0.485146          1.117091
 Vib (Bot)    6  0.189080D+01          0.276646          0.637000
 Vib (Bot)    7  0.126132D+01          0.100826          0.232160
 Vib (Bot)    8  0.100772D+01          0.003341          0.007694
 Vib (Bot)    9  0.884431D+00         -0.053336         -0.122811
 Vib (Bot)   10  0.859278D+00         -0.065866         -0.151663
 Vib (Bot)   11  0.780544D+00         -0.107603         -0.247765
 Vib (Bot)   12  0.763002D+00         -0.117474         -0.270494
 Vib (Bot)   13  0.638261D+00         -0.195002         -0.449008
 Vib (Bot)   14  0.583879D+00         -0.233677         -0.538062
 Vib (Bot)   15  0.529704D+00         -0.275967         -0.635437
 Vib (Bot)   16  0.465106D+00         -0.332448         -0.765490
 Vib (Bot)   17  0.430513D+00         -0.366014         -0.842779
 Vib (Bot)   18  0.418679D+00         -0.378119         -0.870652
 Vib (Bot)   19  0.411692D+00         -0.385428         -0.887480
 Vib (Bot)   20  0.378557D+00         -0.421869         -0.971389
 Vib (Bot)   21  0.284239D+00         -0.546316         -1.257940
 Vib (Bot)   22  0.272882D+00         -0.564024         -1.298714
 Vib (Bot)   23  0.236300D+00         -0.626536         -1.442653
 Vib (V=0)       0.109305D+07          6.038639         13.904481
 Vib (V=0)    1  0.882740D+01          0.945833          2.177861
 Vib (V=0)    2  0.618653D+01          0.791447          1.822374
 Vib (V=0)    3  0.505606D+01          0.703812          1.620587
 Vib (V=0)    4  0.435810D+01          0.639298          1.472037
 Vib (V=0)    5  0.359659D+01          0.555890          1.279985
 Vib (V=0)    6  0.245579D+01          0.390192          0.898450
 Vib (V=0)    7  0.185681D+01          0.268767          0.618859
 Vib (V=0)    8  0.162495D+01          0.210839          0.485475
 Vib (V=0)    9  0.151598D+01          0.180694          0.416063
 Vib (V=0)   10  0.149416D+01          0.174398          0.401566
 Vib (V=0)   11  0.142696D+01          0.154411          0.355544
 Vib (V=0)   12  0.141223D+01          0.149907          0.345174
 Vib (V=0)   13  0.131079D+01          0.117532          0.270629
 Vib (V=0)   14  0.126871D+01          0.103362          0.238000
 Vib (V=0)   15  0.122841D+01          0.089345          0.205723
 Vib (V=0)   16  0.118288D+01          0.072940          0.167951
 Vib (V=0)   17  0.115980D+01          0.064385          0.148251
 Vib (V=0)   18  0.115214D+01          0.061507          0.141625
 Vib (V=0)   19  0.114768D+01          0.059821          0.137743
 Vib (V=0)   20  0.112714D+01          0.051978          0.119684
 Vib (V=0)   21  0.107515D+01          0.031467          0.072456
 Vib (V=0)   22  0.106962D+01          0.029229          0.067302
 Vib (V=0)   23  0.105303D+01          0.022439          0.051668
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.292407D+07          6.465988         14.888487
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665554444444443333333222221111100009999988888887766655444433322222111     
     2        87653109877542210                           051510999986210977641184321964309841776539755320526416552218429552296065432
     3        45570140480777193                           688224982060364352399009622428977465921567493836416396125017928509380884675
 
     X        XXXXXXXXXXXXXXXXX                           XX XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X               XX    XX                             X              X            XX   X               X  XX                     
     X                X                                   X                           X    X                  X                      
     X                                                    X                           X                       X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000004035    0.000001323    0.000000104
      2        6           0.000003910    0.000002414   -0.000004065
      3        6           0.000000010    0.000000013   -0.000000316
      4        6          -0.000010760    0.000000438    0.000003151
      5        6           0.000006994   -0.000006001   -0.000000139
      6        6          -0.000005750    0.000000426    0.000002929
      7        6          -0.000004046    0.000011316    0.000007688
      8        6          -0.000001686    0.000002896   -0.000003646
      9        6          -0.000000301   -0.000006542    0.000000877
     10        6          -0.000004305   -0.000003255    0.000000078
     11        6           0.000017363    0.000008199    0.000001644
     12        6          -0.000003287    0.000005996    0.000006641
     13        8          -0.000001001   -0.000002553   -0.000004183
     14        8           0.000001231   -0.000006175   -0.000002322
     15        1          -0.000000147   -0.000000439    0.000000616
     16        1          -0.000000584    0.000000214    0.000000726
     17        1          -0.000000546    0.000001543   -0.000000256
     18        1           0.000000796    0.000000377   -0.000000903
     19        1           0.000001642   -0.000002725   -0.000003513
     20        1           0.000003838   -0.000001836   -0.000001394
     21        1          -0.000001019   -0.000002823    0.000003310
     22        1          -0.000000616    0.000000078   -0.000001528
     23        1          -0.000000904    0.000002569   -0.000001920
     24        1           0.000000360   -0.000001108   -0.000000855
     25        1           0.000002157   -0.000000520   -0.000001388
     26        1           0.000000217    0.000000011   -0.000000797
     27        1          -0.000001587    0.000000464   -0.000002081
     28        1          -0.000003703    0.000001020    0.000002065
     29        6          -0.000001136   -0.000004813   -0.000004708
     30        1          -0.000000067   -0.000001558   -0.000000163
     31        1          -0.000000810    0.000000068    0.000000699
     32        1          -0.000000449    0.000000464    0.000002133
     33        1           0.000000151    0.000000517    0.000001516
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000017363 RMS     0.000003648
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.216620D+03 -0.175630D+01  0.200050D+01
      2  -0.175630D+01  0.135948D+03 -0.757722D+01
      3   0.200050D+01 -0.757722D+01  0.147268D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.790605D+01 -0.729883D+01  0.229045D+02
      2  -0.527490D+00 -0.597066D+01  0.339558D+02
      3  -0.985596D+02 -0.404746D+02  0.113812D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.240274D+03  0.379325D+02 -0.222225D+02
      2  -0.128559D+03 -0.222713D+02  0.405926D+02
      3  -0.111715D+03 -0.156613D+02 -0.183701D+02
      4  -0.404212D+02  0.728699D+02 -0.134383D+02
      5  -0.252910D+02 -0.190960D+02  0.705545D+02
      6   0.506001D+00  0.212670D+02 -0.346491D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.119108D+02 -0.140152D+00  0.764383D+00  0.574981D+01  0.203688D+01
      2  -0.140152D+00  0.999820D+00 -0.265193D-01  0.203688D+01  0.195920D+01
      3   0.764383D+00 -0.265193D-01  0.108315D+01 -0.205440D+00 -0.278135D+01
                 6             7             8             9            10 
      1  -0.205440D+00 -0.990117D+01  0.247735D+00 -0.168652D+00  0.299589D+02
      2  -0.278135D+01  0.247735D+00 -0.111606D+01 -0.102415D+01  0.150020D+01
      3  -0.221368D+01 -0.168652D+00 -0.102415D+01 -0.202584D+01 -0.107946D+01
                11            12            13            14            15 
      1   0.150020D+01 -0.107946D+01 -0.649288D+00  0.448689D+01  0.133010D+01
      2   0.182166D+01 -0.694348D+00  0.448689D+01 -0.839884D+00 -0.203056D+00
      3  -0.694348D+00  0.276961D+01  0.133010D+01 -0.203056D+00 -0.782552D+00
                16            17            18            19            20 
      1  -0.378554D+01  0.156316D+01  0.996628D+00  0.872998D+01 -0.267653D-01
      2   0.156316D+01  0.181153D+00 -0.763574D+00 -0.267653D-01 -0.920633D+00
      3   0.996628D+00 -0.763574D+00 -0.269992D+00 -0.701231D+00 -0.291983D+00
                21            22            23            24            25 
      1  -0.701231D+00  0.392695D+01 -0.146132D+01 -0.102401D+01 -0.130010D+02
      2  -0.291983D+00 -0.146132D+01  0.248693D+01 -0.224421D+01 -0.105188D+00
      3  -0.281011D+01 -0.102401D+01 -0.224421D+01 -0.115373D+01  0.314933D+00
                26            27            28            29            30 
      1  -0.105188D+00  0.314933D+00 -0.272280D+02 -0.559602D+00  0.100072D+01
      2  -0.758794D+00 -0.696934D+00 -0.559602D+00 -0.138137D+01  0.207884D+00
      3  -0.696934D+00 -0.159368D+01  0.100072D+01  0.207884D+00 -0.255769D+01
                31            32            33            34            35 
      1   0.224702D+01 -0.493432D+01 -0.146527D+01  0.259419D+01 -0.135200D+01
      2  -0.493432D+01  0.497940D+00  0.356206D+00 -0.135200D+01  0.672276D-02
      3  -0.146527D+01  0.356206D+00 -0.418985D-01 -0.654037D+00 -0.798706D+00
                36            37            38            39            40 
      1  -0.654037D+00  0.130121D+02 -0.346579D+00 -0.765014D+00 -0.372720D+01
      2  -0.798706D+00 -0.346579D+00 -0.186850D+01  0.132701D+01 -0.170201D+01
      3   0.808811D+00 -0.765014D+00  0.132701D+01 -0.181513D+01 -0.581372D-01
                41            42            43            44            45 
      1  -0.170201D+01 -0.581372D-01  0.108624D+02 -0.160837D+01  0.338098D+00
      2  -0.258283D+01  0.259971D+01 -0.160837D+01  0.105405D+01  0.127796D+01
      3   0.259971D+01  0.201375D+01  0.338098D+00  0.127796D+01  0.167959D+01
                46            47            48            49            50 
      1  -0.959465D+01  0.369783D+00  0.457900D+00 -0.280955D+01  0.113694D+01
      2   0.369783D+00  0.139273D+01 -0.716844D+00  0.113694D+01 -0.339194D+01
      3   0.457900D+00 -0.716844D+00  0.312376D+01  0.142236D+01  0.210829D+01
                51            52            53            54            55 
      1   0.142236D+01  0.127492D+02  0.121453D+01 -0.839107D+00 -0.148686D+02
      2   0.210829D+01  0.121453D+01 -0.582209D-01  0.136945D+01 -0.215161D+01
      3   0.111812D+01 -0.839107D+00  0.136945D+01  0.778543D+00 -0.463513D+00
                56            57            58            59            60 
      1  -0.215161D+01 -0.463513D+00 -0.529797D+01 -0.694980D+01 -0.548635D+00
      2  -0.333576D+01 -0.126883D+00 -0.694980D+01  0.242864D+01 -0.163423D+01
      3  -0.126883D+00 -0.136206D+01 -0.548635D+00 -0.163423D+01  0.697583D-01
                61            62            63            64            65 
      1  -0.544835D+01 -0.122314D+01 -0.291222D+01 -0.553577D+00  0.296814D+01
      2  -0.122314D+01 -0.285237D+01  0.528890D+00  0.296814D+01  0.357562D+01
      3  -0.291222D+01  0.528890D+00  0.514245D+01  0.100170D+00  0.389350D+00
                66            67            68            69            70 
      1   0.100170D+00  0.105342D+02  0.606374D+01  0.740765D+00  0.550338D+01
      2   0.389350D+00  0.606374D+01 -0.155867D+01  0.198712D+01  0.129884D+01
      3   0.227089D+01  0.740765D+00  0.198712D+01  0.534283D+00  0.338213D+01
                71            72            73            74            75 
      1   0.129884D+01  0.338213D+01  0.579222D+01 -0.228770D+01 -0.118312D+01
      2   0.284083D+01  0.573381D+00 -0.228770D+01 -0.331864D+01 -0.661496D+00
      3   0.573381D+00 -0.678476D+01 -0.118312D+01 -0.661496D+00 -0.177310D+01
                76            77            78            79            80 
      1  -0.368045D+01 -0.367620D+01 -0.867398D+00 -0.214461D+01 -0.929636D+00
      2  -0.367620D+01 -0.451286D-01 -0.270884D+01 -0.929636D+00 -0.375147D+01
      3  -0.867398D+00 -0.270884D+01 -0.113578D+01 -0.250015D+01 -0.180560D+01
                81            82            83            84            85 
      1  -0.250015D+01  0.525570D+01 -0.180274D+01 -0.550565D+00 -0.357937D+01
      2  -0.180560D+01 -0.180274D+01 -0.338100D+01 -0.527982D+00 -0.516537D+01
      3   0.506782D+01 -0.550565D+00 -0.527982D+00 -0.279399D+01 -0.832366D+00
                86            87            88            89            90 
      1  -0.516537D+01 -0.832366D+00 -0.185374D+01 -0.888886D+00 -0.420961D+01
      2   0.212282D+01 -0.357997D+01 -0.888886D+00 -0.369053D+01 -0.320598D+00
      3  -0.357997D+01 -0.450845D+00 -0.420961D+01 -0.320598D+00  0.436169D+01
                91            92            93            94            95 
      1   0.380276D+01  0.248597D+01  0.280338D+00 -0.553170D+00  0.563224D+01
      2   0.248597D+01  0.178342D+01  0.902349D+00  0.563224D+01 -0.302516D+01
      3   0.280338D+00  0.902349D+00  0.133908D+01  0.176581D+01  0.106254D+00
                96            97            98            99           100 
      1   0.176581D+01  0.343351D+01  0.168341D+01  0.182997D+01  0.306427D+01
      2   0.106254D+00  0.168341D+01  0.183295D+01  0.189334D+01 -0.178416D+01
      3   0.145969D+01  0.182997D+01  0.189334D+01 -0.414167D+01  0.168252D+01
               101           102           103           104           105 
      1  -0.178416D+01  0.168252D+01 -0.190319D+01 -0.646521D+00 -0.132618D+01
      2   0.298554D+00 -0.812189D+00 -0.646521D+00  0.295093D+01  0.384012D-01
      3  -0.812189D+00  0.469959D+00 -0.132618D+01  0.384012D-01 -0.197443D+01
               106           107           108           109           110 
      1   0.278716D+01 -0.246239D+01  0.140624D+01 -0.545832D+01  0.205642D+01
      2  -0.246239D+01  0.185978D+01 -0.239788D+01  0.205642D+01 -0.153663D+01
      3   0.140624D+01 -0.239788D+01  0.299020D+01 -0.347143D+01  0.648678D+00
               111           112           113           114           115 
      1  -0.347143D+01  0.309765D+01 -0.237403D+01  0.123434D+01 -0.783702D+01
      2   0.648678D+00 -0.237403D+01  0.263856D+01 -0.219016D+01  0.293888D+01
      3  -0.192075D+01  0.123434D+01 -0.219016D+01  0.211937D+01 -0.322806D+01
               116           117           118           119           120 
      1   0.293888D+01 -0.322806D+01  0.815269D+00 -0.362433D-01  0.118690D+01
      2  -0.435462D+01  0.199952D+01 -0.362433D-01  0.215184D+01  0.412828D+00
      3   0.199952D+01 -0.752972D+01  0.118690D+01  0.412828D+00  0.270002D+00
               121           122           123           124           125 
      1   0.197971D+00  0.209287D+01  0.138255D+00  0.348741D+01 -0.122758D+01
      2   0.209287D+01 -0.551629D+01  0.832131D+00 -0.122758D+01  0.295010D+01
      3   0.138255D+00  0.832131D+00  0.377087D+00 -0.100008D+01  0.251507D+01
               126           127           128           129           130 
      1  -0.100008D+01  0.195678D+01  0.605717D+00 -0.195558D+01  0.282434D+00
      2   0.251507D+01  0.605717D+00  0.309519D+00 -0.409504D+00  0.152968D+00
      3   0.454515D+01 -0.195558D+01 -0.409504D+00  0.210062D+01 -0.661741D+00
               131           132           133           134           135 
      1   0.152968D+00 -0.661741D+00 -0.225816D+01 -0.869399D+00  0.255845D+01
      2   0.430189D+00 -0.598569D+00 -0.869399D+00 -0.124587D+01  0.165973D+01
      3  -0.598569D+00  0.221910D+01  0.255845D+01  0.165973D+01 -0.700221D+01
               136           137           138           139           140 
      1  -0.367823D+01  0.973388D+00 -0.183788D+01  0.152766D+01 -0.566423D+00
      2   0.973388D+00 -0.765140D+00  0.567566D+00 -0.566423D+00  0.580392D+00
      3  -0.183788D+01  0.567566D+00 -0.177428D+01  0.109285D+01 -0.576213D+00
               141           142           143           144           145 
      1   0.109285D+01 -0.245889D+01  0.904649D+00 -0.243156D+01 -0.206521D+01
      2  -0.576213D+00  0.904649D+00 -0.124116D+01  0.139664D+01 -0.650288D+00
      3   0.174053D+01 -0.243156D+01  0.139664D+01 -0.443706D+01  0.204483D+01
               146           147           148           149           150 
      1  -0.650288D+00  0.204483D+01 -0.468404D+00 -0.167843D+00  0.689612D+00
      2  -0.384496D+00  0.635768D+00 -0.167843D+00 -0.596209D+00  0.787415D+00
      3   0.635768D+00 -0.222769D+01  0.689612D+00  0.787415D+00 -0.230600D+01
               151           152           153           154           155 
      1   0.207720D+01  0.100965D+01 -0.263516D+01  0.361330D+01 -0.111382D+01
      2   0.100965D+01  0.162774D+01 -0.236173D+01 -0.111382D+01  0.955753D+00
      3  -0.263516D+01 -0.236173D+01  0.731296D+01  0.247578D+01 -0.108657D+01
               156           157           158           159           160 
      1   0.247578D+01 -0.181604D+01  0.700307D+00 -0.135431D+01  0.264621D+01
      2  -0.108657D+01  0.700307D+00 -0.846295D+00  0.890852D+00 -0.122546D+01
      3   0.230530D+01 -0.135431D+01  0.890852D+00 -0.203826D+01  0.284630D+01
               161           162           163           164           165 
      1  -0.122546D+01  0.284630D+01  0.113147D+01 -0.495455D-02 -0.144056D+01
      2   0.165082D+01 -0.208840D+01 -0.495455D-02  0.741959D+00  0.275826D+00
      3  -0.208840D+01  0.499183D+01 -0.144056D+01  0.275826D+00  0.133565D+01
               166           167           168           169           170 
      1   0.162045D+01  0.115285D+01 -0.545974D-01 -0.362546D+01  0.104071D+00
      2   0.115285D+01 -0.334501D+00 -0.661253D+00  0.104071D+00 -0.117106D+01
      3  -0.545974D-01 -0.661253D+00  0.939559D-01  0.233586D+01 -0.113201D+01
               171           172           173           174           175 
      1   0.233586D+01  0.404613D+01 -0.180261D+01  0.634733D+00 -0.413769D+01
      2  -0.113201D+01 -0.180261D+01  0.223835D+01 -0.531260D-01  0.331902D+01
      3  -0.615517D+01  0.634733D+00 -0.531260D-01  0.392437D+00 -0.176720D+00
               176           177           178           179           180 
      1   0.331902D+01 -0.176720D+00  0.463296D+01 -0.382764D+00  0.100983D+01
      2  -0.648598D+01  0.806051D+00 -0.382764D+00  0.197159D+01 -0.101342D+01
      3   0.806051D+00 -0.789153D+00  0.100983D+01 -0.101342D+01  0.280529D+00
               181           182           183           184           185 
      1  -0.671829D+00 -0.722736D+00  0.123806D+01 -0.151468D+01 -0.853178D+00
      2  -0.722736D+00 -0.818864D+00 -0.724497D-01 -0.853178D+00  0.161485D+00
      3   0.123806D+01 -0.724497D-01 -0.976326D+00  0.936683D-01  0.697257D+00
               186           187           188           189           190 
      1   0.936683D-01  0.222617D+01  0.128151D+00 -0.544881D+00 -0.853815D+01
      2   0.697257D+00  0.128151D+00  0.108065D+01 -0.363839D-01  0.562831D+00
      3  -0.932239D-01 -0.544881D+00 -0.363839D-01  0.707612D+01  0.461596D+00
               191           192           193           194           195 
      1   0.562831D+00  0.461596D+00  0.228605D+00 -0.143248D+01  0.556504D-01
      2  -0.235485D+01  0.801231D-01 -0.143248D+01  0.636157D+00  0.332608D+00
      3   0.801231D-01 -0.676553D+00  0.556504D-01  0.332608D+00  0.371917D+00
               196           197           198           199           200 
      1   0.543088D+00 -0.100476D+00 -0.353030D+00  0.416677D+00  0.604612D+00
      2  -0.100476D+00  0.605621D+00  0.529279D+00  0.604612D+00  0.927422D+00
      3  -0.353030D+00  0.529279D+00 -0.265639D+00 -0.983629D+00 -0.307346D+00
               201           202           203           204           205 
      1  -0.983629D+00  0.300811D+00  0.573297D+00 -0.950398D-01 -0.181005D+01
      2  -0.307346D+00  0.573297D+00  0.743166D+00 -0.705576D+00 -0.537531D+00
      3   0.129388D+01 -0.950398D-01 -0.705576D+00  0.597177D+00  0.143901D+01
               206           207           208           209           210 
      1  -0.537531D+00  0.143901D+01  0.237527D+01  0.257154D+01  0.926134D+00
      2  -0.199976D+01  0.188342D+01  0.257154D+01  0.334845D+01  0.714491D+00
      3   0.188342D+01 -0.654439D+01  0.926134D+00  0.714491D+00  0.972807D+00
               211           212           213           214           215 
      1   0.234499D+01  0.320763D+01  0.844949D+00  0.185814D+01  0.145084D+01
      2   0.320763D+01  0.657408D+01  0.188363D+01  0.145084D+01  0.335703D+01
      3   0.844949D+00  0.188363D+01  0.135712D+01  0.124340D+01  0.178453D+01
               216           217           218           219           220 
      1   0.124340D+01  0.180974D+01  0.132415D+00 -0.153423D+01  0.419070D+00
      2   0.178453D+01  0.132415D+00  0.593828D+00  0.545012D-01  0.109688D+01
      3   0.113650D+01 -0.153423D+01  0.545012D-01  0.161338D+01 -0.534097D-02
               221           222           223           224           225 
      1   0.109688D+01 -0.534097D-02 -0.442517D+01  0.113343D+00  0.327027D+01
      2  -0.151226D+00 -0.441061D+00  0.113343D+00 -0.985116D+00 -0.331463D-01
      3  -0.441061D+00  0.132364D+00  0.327027D+01 -0.331463D-01 -0.597942D+01
               226           227           228           229           230 
      1   0.174991D+01 -0.167463D+01  0.837719D+00 -0.392898D+01  0.326454D+01
      2  -0.167463D+01  0.171384D+01 -0.488641D+00  0.326454D+01 -0.571995D+01
      3   0.837719D+00 -0.488641D+00  0.815436D+00 -0.100227D+01  0.188543D+01
               231           232           233           234           235 
      1  -0.100227D+01  0.192987D+01 -0.897284D+00  0.153705D+01  0.467536D+01
      2   0.188543D+01 -0.897284D+00  0.211942D+01 -0.126276D+01  0.242217D+01
      3  -0.153150D+01  0.153705D+01 -0.126276D+01  0.106321D+01  0.171521D+01
               236           237           238           239           240 
      1   0.242217D+01  0.171521D+01  0.547258D+01  0.340417D+01  0.155214D+01
      2   0.194180D+01  0.882566D+00  0.340417D+01  0.337752D+01  0.173472D+01
      3   0.882566D+00  0.138515D+01  0.155214D+01  0.173472D+01  0.159100D+01
               241           242           243           244           245 
      1   0.359666D+01  0.142440D+01  0.237469D+01  0.361630D+00 -0.824695D+00
      2   0.142440D+01  0.195888D+01  0.130196D+01 -0.824695D+00 -0.495658D+00
      3   0.237469D+01  0.130196D+01  0.159436D+01  0.136987D+01  0.698276D-01
               246           247           248           249           250 
      1   0.136987D+01 -0.118897D+01 -0.991707D+00  0.179824D+00  0.259619D+01
      2   0.698276D-01 -0.991707D+00 -0.604063D+00  0.107224D+01  0.234149D+00
      3  -0.110967D+01  0.179824D+00  0.107224D+01 -0.118070D+01 -0.189127D+01
               251           252           253           254           255 
      1   0.234149D+00 -0.189127D+01  0.787512D+01 -0.200975D+00 -0.165213D+01
      2   0.150353D+01 -0.105748D+01 -0.200975D+00 -0.338022D+01 -0.688411D+00
      3  -0.105748D+01  0.594733D+01 -0.165213D+01 -0.688411D+00 -0.102781D+01
               256           257           258           259           260 
      1  -0.431863D+01 -0.375316D+01 -0.118925D+01 -0.591461D+01 -0.155199D+01
      2  -0.375316D+01  0.347137D+01 -0.139929D+01 -0.155199D+01 -0.247726D+01
      3  -0.118925D+01 -0.139929D+01 -0.172961D+01 -0.153124D+01 -0.138280D+01
               261           262           263           264           265 
      1  -0.153124D+01 -0.105726D+01  0.151236D+01  0.501269D+00  0.170636D+01
      2  -0.138280D+01  0.151236D+01 -0.207261D+01 -0.473131D+00 -0.290580D+01
      3   0.366912D+01  0.501269D+00 -0.473131D+00 -0.431925D+00 -0.554458D+00
               266           267           268           269           270 
      1  -0.290580D+01 -0.554458D+00 -0.264945D+00  0.569612D+00 -0.212092D+00
      2   0.918217D+01  0.173216D+01  0.569612D+00 -0.144058D+01  0.528875D+00
      3   0.173216D+01  0.160903D+01 -0.212092D+00  0.528875D+00  0.473363D+00
               271           272           273           274           275 
      1  -0.146256D+02 -0.214107D+01  0.185479D+00  0.247564D+00 -0.105510D+01
      2  -0.214107D+01 -0.150594D+01 -0.147263D+00 -0.105510D+01 -0.543998D+00
      3   0.185479D+00 -0.147263D+00 -0.107750D+01  0.109232D+00  0.216572D+00
               276           277           278           279           280 
      1   0.109232D+00  0.214431D+01  0.486718D+00 -0.114113D+01  0.102189D+00
      2   0.216572D+00  0.486718D+00  0.639016D+00 -0.279063D-01 -0.789931D+00
      3   0.227406D+00 -0.114113D+01 -0.279063D-01  0.433740D-01  0.310182D+00
               281           282           283           284           285 
      1  -0.789931D+00  0.310182D+00 -0.150226D+01 -0.817354D-01 -0.250303D-01
      2   0.222243D+01  0.213661D+00 -0.817354D-01 -0.822935D+01  0.542330D-01
      3   0.213661D+00  0.444549D+00 -0.250303D-01  0.542330D-01 -0.908680D+00
               286           287           288           289           290 
      1   0.100585D+01  0.329107D+00  0.106927D+00 -0.294578D+00  0.295720D+00
      2   0.329107D+00  0.128070D+01 -0.741018D+00  0.295720D+00  0.503312D+00
      3   0.106927D+00 -0.741018D+00 -0.648648D-01 -0.555449D+00  0.202262D+00
               291           292           293           294           295 
      1  -0.555449D+00  0.117175D+01  0.395767D+00  0.196645D+00 -0.194521D+01
      2   0.202262D+00  0.395767D+00  0.229916D+00 -0.397522D+00 -0.339136D+00
      3   0.348927D+00  0.196645D+00 -0.397522D+00  0.698388D+00 -0.737508D+00
               296           297 
      1  -0.339136D+00 -0.737508D+00
      2  -0.137770D+01 -0.297530D+00
      3  -0.297530D+00 -0.616851D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.146597D+01 -0.203707D+01  0.132102D+01 -0.680373D+01 -0.208845D+01
      2   0.260369D+01 -0.234209D+01  0.974478D+01 -0.236575D+01  0.173387D+01
      3   0.162085D+02 -0.158084D+01  0.285334D+01  0.816908D+01 -0.197583D+01
                 6             7             8             9            10 
      1  -0.198763D+01 -0.130754D+01  0.154015D+01 -0.421743D+00 -0.149407D+01
      2  -0.350630D+01 -0.407270D+01 -0.108707D+01  0.281535D+01  0.145486D+00
      3   0.241335D+01  0.137213D+02  0.188482D+00  0.262188D+01 -0.293549D+02
                11            12            13            14            15 
      1   0.149557D+00  0.157092D+01  0.192323D+01  0.387427D+01 -0.864391D+01
      2   0.823332D+00 -0.404524D+01  0.514673D+01  0.201274D-01  0.909929D+00
      3  -0.813819D+00  0.478259D+00  0.104104D+02 -0.114059D+01 -0.246513D+00
                16            17            18            19            20 
      1  -0.336787D+01 -0.120597D+01 -0.452646D+01 -0.445192D+00  0.130970D+01
      2  -0.249034D+02 -0.169833D+01 -0.295525D+01 -0.372262D+01 -0.199950D+01
      3  -0.151541D+01 -0.166779D+01 -0.105714D+01 -0.976273D+01 -0.157392D+01
                21            22            23            24            25 
      1  -0.136198D+01  0.595229D+01 -0.196438D+01 -0.346855D+01  0.472561D+01
      2   0.278754D+01 -0.425545D+01 -0.217019D+01  0.110877D+01 -0.109399D+01
      3   0.243946D+01  0.821304D+01  0.158201D+01 -0.291399D+01  0.164275D+02
                26            27            28            29            30 
      1   0.136303D+01 -0.159853D+01  0.142861D+01  0.686431D+00 -0.262430D+01
      2   0.765110D+00 -0.148910D+01  0.933624D+00  0.213033D+01 -0.361583D+01
      3  -0.773263D+00 -0.407406D+01  0.250228D+02  0.117652D+01 -0.261473D+01
                31            32            33            34            35 
      1  -0.171559D+01  0.443602D+01 -0.885196D+01 -0.479127D+01 -0.650833D+00
      2   0.523449D+01  0.352114D+00  0.244000D+01 -0.256627D+02  0.292440D+01
      3   0.767873D+01  0.494817D+01  0.882522D+00 -0.636681D+01 -0.175934D+01
                36            37            38            39            40 
      1  -0.337372D+01 -0.193498D+01 -0.420356D+00 -0.103411D+01 -0.585988D+01
      2  -0.185703D+01  0.199117D+00 -0.252365D+01  0.875975D+01 -0.361084D+01
      3   0.169488D+01 -0.129415D+02 -0.874464D+00  0.288080D+01  0.142540D+02
                41            42            43            44            45 
      1   0.153934D+01  0.104055D+01 -0.222756D+01  0.319247D+01  0.247907D+01
      2   0.149568D+01 -0.230827D+01 -0.664933D+01 -0.859025D+00  0.263794D+01
      3  -0.468322D+00  0.256396D+01 -0.929943D+01  0.314321D+01  0.177959D+01
                46            47            48            49            50 
      1   0.112970D+01  0.901906D+00  0.247426D+01  0.863473D+01  0.141173D+01
      2  -0.182756D+01 -0.196339D+01  0.348216D+01 -0.379232D+01 -0.163880D+01
      3   0.126612D+02 -0.187850D+01 -0.396116D+00  0.133159D+02  0.101518D+01
                51            52            53            54            55 
      1  -0.243744D+01  0.283863D+01  0.315094D+01  0.511172D+00 -0.127909D+01
      2   0.120524D+01 -0.176132D+01  0.145940D+01 -0.182188D+01 -0.431613D+01
      3  -0.470046D+01 -0.101205D+02 -0.115461D+01 -0.166791D+01  0.160446D+02
                56            57            58            59            60 
      1  -0.132299D+00 -0.599672D+00 -0.226251D+00 -0.501904D+01 -0.918517D+00
      2   0.150468D+00 -0.383647D+00 -0.204994D+01 -0.996869D+01  0.149438D+01
      3   0.908188D+01  0.636089D+00  0.341119D+02 -0.668073D+00  0.586015D+01
                61            62            63            64            65 
      1  -0.987712D-01  0.373349D+01  0.438796D+01  0.190699D+01  0.106255D+01
      2  -0.198503D+02  0.266036D+00  0.196437D+02  0.454991D+01  0.150714D+01
      3   0.931461D+01  0.103546D+02  0.175767D+01 -0.192649D+02 -0.187837D+02
                66            67            68            69            70 
      1  -0.149802D+01 -0.472405D+00 -0.157681D+01 -0.203408D+01  0.468111D+00
      2   0.119281D+02  0.460944D+01  0.954116D+01  0.646828D+00  0.107839D+02
      3  -0.175580D+01 -0.236179D+02  0.551201D+01 -0.803810D+01 -0.995593D+01
                71            72            73            74            75 
      1   0.454185D+01  0.397906D+01  0.220065D+01  0.199961D+01  0.435194D+01
      2   0.320403D+01 -0.311386D+02 -0.145990D+01 -0.389730D+01 -0.441243D+01
      3  -0.119538D+02 -0.247677D+01  0.241704D+02  0.334893D+01  0.592911D+00
                76            77            78            79            80 
      1   0.280152D+01  0.853972D+01  0.163561D+01  0.618796D+01  0.775856D+01
      2  -0.488091D+01 -0.100121D+02 -0.413862D+01 -0.110477D+02 -0.627539D+01
      3   0.928874D+01 -0.683964D+01  0.789487D+01  0.111365D+01  0.110829D+02
                81            82            83            84            85 
      1  -0.109006D+02 -0.400095D+00 -0.284570D+00  0.284912D+00 -0.104549D+00
      2   0.172770D+02 -0.593279D+01 -0.236092D+01 -0.142120D+02 -0.378833D+01
      3   0.277147D+01  0.938444D+01  0.175083D+02  0.290849D+01  0.343517D+02
                86            87            88            89            90 
      1   0.106147D+01 -0.220609D+01  0.530025D+00  0.969853D+00 -0.106010D+01
      2  -0.198912D+02 -0.117591D+01 -0.281197D+02 -0.152352D+01  0.254401D+02
      3  -0.129743D+02  0.205682D+02  0.459144D+01  0.206843D+02  0.195799D+01
                91            92            93            94            95 
      1   0.760243D+00  0.334559D+00  0.194813D+01  0.213829D+01 -0.144451D+01
      2  -0.358864D+01 -0.336521D+01 -0.142314D+00 -0.398155D+01 -0.321128D+01
      3  -0.128384D+01 -0.666028D-01  0.287547D+01  0.317294D+02 -0.144322D+02
                96            97            98            99           100 
      1  -0.307474D+01  0.296252D+01  0.489734D+01 -0.145581D+01 -0.103886D+01
      2  -0.659926D+01 -0.152617D+02 -0.667944D+01  0.148705D+02  0.133313D+01
      3  -0.642448D+00  0.226596D+01  0.443782D+01  0.503706D+01  0.112765D+02
               101           102           103           104           105 
      1  -0.518992D+01 -0.501423D+01 -0.418544D+00 -0.341217D+00  0.198825D+01
      2   0.328970D+01  0.439051D+01  0.225013D+01  0.152297D+01  0.134807D+02
      3  -0.122839D+02 -0.465298D+01 -0.639552D+01  0.189084D+01  0.246597D+01
               106           107           108           109           110 
      1  -0.665057D+01  0.152052D+00 -0.361652D+01  0.404035D+01  0.286786D+01
      2  -0.409795D+01  0.993128D+01 -0.172313D+02  0.937359D+01 -0.253374D+01
      3  -0.104097D+02  0.126427D+02 -0.642076D+01 -0.422809D+00 -0.511829D+01
               111           112           113           114           115 
      1   0.390267D+01 -0.312794D+00  0.227159D+00 -0.632682D+01  0.386267D+01
      2   0.920662D+01 -0.757123D+00  0.752044D+01 -0.105809D+02  0.459346D+01
      3   0.564906D+00 -0.433909D+01  0.119409D+02 -0.778748D+01  0.111697D+02
               116           117           118           119           120 
      1   0.518426D+01  0.111767D+02 -0.339664D+01  0.264459D+01  0.152630D+00
      2  -0.637749D+01  0.306476D+02 -0.535814D+01 -0.907748D+00  0.446661D-01
      3  -0.187877D+02  0.569400D+01 -0.121248D+01  0.672154D+01  0.397408D+01
               121           122           123           124           125 
      1   0.109658D+01 -0.532303D+01 -0.289597D+01 -0.205848D+01  0.714570D+01
      2  -0.232899D+01 -0.465563D+01 -0.227999D+01 -0.172736D+01 -0.735552D+01
      3   0.793896D+01 -0.142268D+02  0.309861D+01 -0.185281D+01  0.922180D+01
               126           127           128           129           130 
      1  -0.683457D+01 -0.172269D+01 -0.197715D+01  0.895727D+00 -0.183451D+00
      2  -0.150518D+02  0.425359D+01  0.889900D+00 -0.992534D+00  0.525060D+00
      3   0.818377D+01 -0.213622D+00 -0.907481D+00  0.773222D+00  0.820364D+00
               131           132           133           134           135 
      1  -0.131171D+01 -0.204282D+00  0.262489D+01  0.525411D+01 -0.452384D+01
      2  -0.835927D-01  0.693960D+00 -0.467331D+01 -0.383429D+00 -0.169571D+01
      3  -0.413022D+00  0.304846D+00  0.757507D+00  0.210717D+01 -0.152643D+01
               136           137           138           139           140 
      1  -0.204819D+01  0.299187D+01 -0.669000D+00  0.999665D+00 -0.114954D+01
      2  -0.782157D+01  0.153089D+01 -0.894605D+00  0.166911D+01 -0.541293D+00
      3   0.438855D+00 -0.155619D+01  0.676252D+00  0.448185D+00  0.115540D+01
               141           142           143           144           145 
      1  -0.590789D+00 -0.196932D+01  0.398783D+01 -0.250437D+01  0.165149D+01
      2  -0.131548D-01 -0.428486D+01  0.550724D+00  0.104899D+01  0.409939D+01
      3  -0.329645D+00  0.614451D+00 -0.250587D+01  0.162512D+01  0.264549D+01
               146           147           148           149           150 
      1  -0.101734D+01 -0.222696D+01  0.996717D+00 -0.103150D+00 -0.346238D+01
      2   0.450398D+00 -0.952689D+00  0.580630D+00 -0.166813D+00  0.542733D+00
      3  -0.547371D-01 -0.196528D+01  0.152398D+01 -0.367918D+00 -0.525106D+00
               151           152           153           154           155 
      1  -0.155250D+01  0.237866D+01  0.527874D+01  0.227438D+01  0.139317D+01
      2  -0.436192D+01 -0.276638D+00 -0.116173D+01 -0.528272D+01  0.274122D+00
      3  -0.232749D+01  0.892409D+00  0.171723D+01 -0.489746D+01 -0.818428D+00
               156           157           158           159           160 
      1   0.218084D+01 -0.138750D+01  0.115447D+00 -0.358576D+01  0.222783D+01
      2  -0.317599D+00  0.116095D+01  0.148202D+00 -0.850797D+00 -0.294417D+01
      3  -0.217245D+01  0.367353D+01  0.651340D+00  0.933325D+00 -0.290248D+01
               161           162           163           164           165 
      1   0.156528D+01  0.394333D+01 -0.133803D+01 -0.635942D+00  0.109240D+01
      2  -0.177394D+00  0.200371D+01 -0.485919D+01  0.642681D+00  0.515148D+01
      3  -0.130627D+01 -0.173250D+01 -0.176511D+01 -0.343337D+01  0.582136D+00
               166           167           168           169           170 
      1  -0.332323D-03 -0.387303D+00 -0.851261D+00  0.214720D+01  0.221749D+01
      2   0.605393D+00 -0.114536D+01  0.628295D+00  0.202829D+01 -0.372942D+01
      3  -0.324948D+01  0.101710D+00  0.170348D+01  0.305586D+01  0.412108D+01
               171           172           173           174           175 
      1  -0.611080D+01  0.974977D+00 -0.949851D+00  0.135083D+01 -0.150718D+01
      2  -0.201135D+02  0.472829D+01 -0.133678D+01  0.310449D+01 -0.240367D+01
      3   0.299417D+00  0.111777D+01 -0.677816D+01 -0.305105D+00 -0.358946D+01
               176           177           178           179           180 
      1   0.339030D+01 -0.331108D+01  0.142253D+01 -0.110650D+01  0.105099D+01
      2   0.539066D+01 -0.362302D+01  0.329595D+01 -0.381633D+01  0.813021D+00
      3   0.176897D+02 -0.194181D+01 -0.340606D+01 -0.635927D+01  0.181519D+01
               181           182           183           184           185 
      1  -0.221546D+01 -0.139690D+01  0.762837D+00 -0.942198D+00 -0.372891D+00
      2   0.754230D+01  0.588561D+00 -0.442677D+01  0.192029D+01  0.356655D+01
      3   0.241735D+01  0.250353D+01  0.432450D+00  0.511920D+01 -0.595124D+00
               186           187           188           189           190 
      1  -0.497610D+00  0.139888D+01  0.338182D+01 -0.376127D+01  0.324825D+00
      2  -0.913710D+00 -0.795835D+01 -0.945599D+00  0.289347D+02 -0.141427D+01
      3  -0.272384D+01  0.154541D-01 -0.379609D+01 -0.212367D+00 -0.252448D+02
               191           192           193           194           195 
      1   0.588709D+00  0.228883D+01  0.271510D+00 -0.751291D+00 -0.112674D+01
      2   0.354283D+00 -0.424549D+00  0.282278D+00  0.740700D+00  0.287913D+00
      3   0.651017D+01  0.723471D+00  0.681788D+01 -0.390009D+01 -0.118087D+01
               196           197           198           199           200 
      1   0.222261D+01  0.542965D+00  0.567255D+00  0.206779D+01 -0.933017D-01
      2  -0.341289D+01  0.107543D+01 -0.917185D+00 -0.310270D+01 -0.109090D+01
      3   0.105227D+01 -0.227006D+01 -0.269958D+01 -0.216981D+01 -0.334304D+01
               201           202           203           204           205 
      1  -0.268679D+01  0.230296D+00  0.115784D+01 -0.221883D+01 -0.269710D+01
      2   0.471194D+01 -0.337457D+00 -0.204921D+01  0.148211D+01  0.694527D+00
      3  -0.325693D+00 -0.453433D+00 -0.136785D+01  0.204226D+01 -0.214677D+01
               206           207           208           209           210 
      1  -0.103972D+00  0.144345D+02 -0.261735D+01 -0.207056D+01 -0.374089D+01
      2   0.597644D+01 -0.219544D+02  0.343736D+01  0.298788D+01  0.464895D+01
      3   0.705580D+01 -0.495834D+01 -0.427038D+01 -0.898641D+01 -0.650460D+00
               211           212           213           214           215 
      1  -0.318322D+01 -0.531000D+01 -0.566192D+01 -0.330515D+01 -0.314277D+01
      2   0.302119D+01  0.721020D+01  0.581129D+01  0.341542D+01  0.646807D+01
      3  -0.324807D+01 -0.181085D+02 -0.479604D+01 -0.623131D+00 -0.998679D+01
               216           217           218           219           220 
      1  -0.345995D+01  0.266726D+00 -0.387360D+00 -0.651962D-01  0.122831D+00
      2   0.428474D+01 -0.895456D+01  0.245641D+00  0.105155D+02 -0.511522D-01
      3  -0.417796D+01 -0.649438D+00 -0.422538D+01 -0.334738D+00 -0.446451D+01
               221           222           223           224           225 
      1   0.289512D-01 -0.842976D+00 -0.577669D+00  0.248797D+01  0.911177D+00
      2  -0.234684D+01  0.674434D+00  0.151828D+02 -0.122480D+00 -0.349632D+02
      3   0.876084D+00  0.204301D+01 -0.764109D+00  0.634881D+01 -0.122710D+00
               226           227           228           229           230 
      1  -0.676955D+00  0.664569D+00  0.411444D+00  0.790464D+00 -0.238283D+01
      2   0.421224D+01 -0.231387D+01  0.507733D+01 -0.381256D+01  0.100492D+02
      3   0.896640D+01 -0.105926D+02  0.278689D+01 -0.143715D+02  0.324325D+02
               231           232           233           234           235 
      1  -0.160990D+01 -0.248450D+00  0.176230D+01  0.185957D+00  0.273341D+00
      2  -0.946004D+01  0.629747D+01 -0.681399D+01  0.549033D+01  0.793145D+01
      3  -0.104690D+02  0.420216D+01 -0.122612D+02  0.661793D+01 -0.120203D+02
               236           237           238           239           240 
      1   0.787213D+00 -0.890011D+00  0.307968D+00  0.119409D+01 -0.153134D+01
      2   0.423239D+01  0.918019D+01  0.647748D+01  0.890328D+01  0.968327D+01
      3  -0.126072D+02 -0.479640D+01 -0.157128D+02 -0.195314D+02 -0.955163D+01
               241           242           243           244           245 
      1  -0.552703D+00  0.149388D+01 -0.660592D+00  0.345382D+00 -0.366575D+00
      2   0.106264D+02  0.685094D+01  0.846930D+01 -0.578416D+01  0.856134D-01
      3  -0.668205D+01 -0.117014D+02 -0.689568D+01 -0.274141D+01 -0.182566D+01
               246           247           248           249           250 
      1  -0.825552D+00 -0.111990D+00  0.999296D-01 -0.922038D+00 -0.122043D+01
      2   0.366675D+01  0.312500D+00 -0.265328D+01  0.409044D+01  0.119207D+01
      3  -0.534415D+00 -0.881384D+00 -0.122190D+01  0.286377D+01 -0.114560D+01
               251           252           253           254           255 
      1   0.266681D+01  0.323911D+01 -0.212434D+01  0.997841D+00 -0.227957D+01
      2   0.356597D+01 -0.186677D+02  0.139213D+02  0.354508D+01  0.631790D+01
      3   0.404728D+01 -0.215946D+01 -0.149706D+02 -0.154316D+02  0.499481D-01
               256           257           258           259           260 
      1  -0.142815D+01 -0.597106D+01 -0.374653D+01 -0.911632D+00  0.108508D+01
      2   0.485500D+01  0.497726D+01  0.600866D+01  0.457453D+01  0.516764D+01
      3  -0.775659D+01  0.198434D+02 -0.396803D+01  0.669449D+00 -0.657034D+01
               261           262           263           264           265 
      1   0.878121D+01  0.987202D+00 -0.159229D+01  0.600064D+00 -0.272379D+01
      2  -0.179286D+02 -0.634997D+00  0.285005D+00  0.121474D+01  0.506123D-02
      3  -0.441853D+01  0.320460D+01 -0.499197D+01 -0.178344D+01 -0.478121D+01
               266           267           268           269           270 
      1   0.882627D+01 -0.197711D+01  0.467686D+00 -0.119839D+01  0.916025D+00
      2  -0.325918D+01 -0.515777D+01  0.308963D+00 -0.174196D+01 -0.106436D+01
      3   0.281241D+02  0.533117D+01  0.149340D+01 -0.497294D+01  0.159437D+01
               271           272           273           274           275 
      1   0.111450D+01  0.580413D+00 -0.232777D+01  0.841068D+00  0.664143D+00
      2  -0.757028D+01 -0.242534D+00  0.781465D+01 -0.906060D+00 -0.139235D+01
      3   0.141547D+02 -0.598030D+01 -0.109519D+01 -0.322886D+01 -0.668421D+00
               276           277           278           279           280 
      1  -0.181337D+00 -0.199747D+01  0.603141D+00 -0.944046D-01  0.137640D+01
      2  -0.536501D+00  0.427795D+01 -0.140419D+00 -0.295280D+00 -0.105776D+01
      3   0.833041D+00 -0.128681D+01  0.192960D+01  0.174442D+01 -0.506048D+01
               281           282           283           284           285 
      1  -0.805661D+00  0.171593D+01 -0.429663D+00  0.498314D+01 -0.411107D+01
      2  -0.964791D+00 -0.136760D+01 -0.808356D+00 -0.431342D-01  0.308436D+01
      3   0.866536D+01 -0.198698D+00  0.550288D+01 -0.303577D+02  0.702688D+00
               286           287           288           289           290 
      1   0.750765D+00 -0.106939D+01  0.533749D+00 -0.185759D+01 -0.603380D+00
      2  -0.168415D+01  0.248859D+01  0.354196D+00  0.441982D+01  0.422213D-01
      3  -0.116671D+01  0.416064D+01 -0.286754D+01  0.140956D+01  0.101461D+01
               291           292           293           294           295 
      1   0.538668D+00 -0.292231D+00 -0.226581D+01  0.978321D+00 -0.180136D+00
      2  -0.192420D+01  0.147474D+01  0.205657D+01 -0.312905D+01 -0.201862D+01
      3   0.114107D+01  0.103664D+01  0.617141D+00 -0.169335D+01  0.150696D+01
               296           297 
      1   0.339658D+01 -0.112605D+02
      2   0.186553D+00  0.245784D+02
      3  -0.459182D+01  0.555757D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.237450D+01 -0.886002D+01  0.220636D+02  0.159894D+02 -0.366135D+01
      2   0.657956D+01  0.388184D+01 -0.795797D+01 -0.376792D+01  0.426898D+01
      3  -0.420506D+01  0.497818D+01 -0.141056D+02 -0.122214D+02 -0.607636D+00
      4  -0.161292D+01  0.217672D+01  0.169680D+00  0.810831D+01  0.451088D+01
      5   0.198000D+02  0.945919D+00 -0.715503D+01 -0.527937D+01 -0.284762D+01
      6  -0.220456D+00 -0.243693D+01  0.113116D+01 -0.827988D+00  0.399867D+01
                 6             7             8             9            10 
      1  -0.171632D+02 -0.229230D+02 -0.958139D+01  0.560045D+01  0.499259D+02
      2   0.135586D+01  0.363393D+01  0.189533D+01  0.332962D+01 -0.191996D+02
      3   0.158073D+02  0.192891D+02  0.768606D+01 -0.893007D+01 -0.307263D+02
      4  -0.427210D+01  0.347745D+01 -0.186098D+01 -0.495888D+01 -0.116005D+02
      5  -0.427877D+01  0.944437D+01 -0.450630D+01  0.575082D+01 -0.512331D+01
      6   0.122201D+02 -0.741234D+01  0.443679D+01  0.143637D+02  0.257414D+01
                11            12            13            14            15 
      1   0.694334D+01 -0.114331D+01  0.992693D+01 -0.655481D+00  0.713391D+01
      2  -0.560742D+01  0.290201D+01 -0.986557D+01  0.696776D+01 -0.823130D+00
      3  -0.133592D+01 -0.175870D+01 -0.613633D-01 -0.631228D+01 -0.631078D+01
      4   0.177957D+01 -0.325305D+01  0.176114D+02 -0.540933D+01 -0.119829D+01
      5  -0.382160D+01  0.671471D+01  0.111488D+02 -0.107816D+01 -0.181710D+01
      6   0.482602D+00 -0.587930D+01 -0.531618D+01  0.420129D+01  0.797646D+01
                16            17            18            19            20 
      1  -0.947077D+01  0.726086D+01 -0.201192D+02 -0.121605D+01  0.606421D+01
      2  -0.105088D+01  0.380307D+01  0.282213D+01 -0.193415D+01 -0.256144D+01
      3   0.105217D+02 -0.110639D+02  0.172971D+02  0.315020D+01 -0.350277D+01
      4   0.145830D+02  0.971657D+00 -0.199800D+01  0.362641D+01 -0.311396D+00
      5  -0.151870D+02 -0.174143D+01 -0.387303D+01 -0.171449D+02  0.230936D+01
      6  -0.401557D+01  0.228370D+01 -0.496120D+01  0.280527D+01  0.407330D+01
                21            22            23            24            25 
      1  -0.264536D+02 -0.944478D+01 -0.491121D+01 -0.625126D+01  0.237259D+02
      2   0.705254D+01 -0.197474D+01  0.642023D+01 -0.864346D-01 -0.126017D+01
      3   0.194010D+02  0.114195D+02 -0.150902D+01  0.633770D+01 -0.224657D+02
      4   0.201666D+01  0.363899D+01 -0.178729D+01  0.418318D+01  0.417505D+01
      5  -0.190870D+01  0.803541D+00  0.259320D+01  0.671595D+01  0.121890D+02
      6   0.407763D+01  0.311757D+01  0.230277D+01  0.735099D+01  0.102550D+02
                26            27            28            29            30 
      1  -0.869366D+01  0.921512D+01  0.162227D+02 -0.437377D+00  0.102918D+01
      2   0.205800D+01 -0.275476D+01 -0.327997D+01  0.455549D+01  0.797177D+00
      3   0.663566D+01 -0.646036D+01 -0.129427D+02 -0.411811D+01 -0.182636D+01
      4   0.301954D+01  0.716312D+01  0.236059D+02  0.196905D+01 -0.182816D+01
      5   0.518908D+01 -0.452935D+01  0.232514D+01 -0.119418D+01  0.706453D+01
      6   0.151804D+01  0.101944D+02  0.383191D+01 -0.119690D+01  0.405872D+01
                31            32            33            34            35 
      1  -0.833631D+00 -0.948312D+00  0.865906D+01 -0.958928D+01  0.103644D+02
      2   0.708732D+01  0.494345D+01 -0.235878D+01  0.221281D+01  0.190340D+01
      3  -0.625369D+01 -0.399514D+01 -0.630027D+01  0.737646D+01 -0.122678D+02
      4   0.165497D+02  0.520970D+00  0.193407D+01  0.116890D+02  0.507681D+01
      5   0.123747D+02  0.479891D+00  0.947784D+00 -0.179887D+02  0.230484D+01
      6  -0.108989D+01  0.375716D+01  0.588127D+01 -0.165123D+01  0.237351D+01
                36            37            38            39            40 
      1  -0.228646D+02  0.101254D+02 -0.121495D+02  0.244900D+02  0.331915D+01
      2   0.411441D+01 -0.132826D+00  0.951822D+01 -0.119768D+02  0.484220D+01
      3   0.187502D+02 -0.999258D+01  0.263129D+01 -0.125132D+02 -0.816136D+01
      4   0.164870D+00 -0.947958D+01 -0.108160D+01  0.428151D+01  0.144054D+02
      5  -0.228478D+01  0.137820D+02  0.221399D+01 -0.892648D+01 -0.279726D+01
      6  -0.687879D+01 -0.236644D+00 -0.504662D+01  0.584425D+01 -0.771976D+00
                41            42            43            44            45 
      1  -0.109325D+02 -0.758765D+01 -0.179473D+02 -0.537867D+01  0.943136D+01
      2   0.157857D+02 -0.101947D+02  0.198549D+01 -0.222962D+01 -0.149458D+01
      3  -0.485326D+01  0.177824D+02  0.159618D+02  0.760829D+01 -0.793678D+01
      4   0.688623D+01 -0.347486D+01 -0.367164D+01 -0.204180D+01 -0.601204D+01
      5  -0.212290D+01 -0.271733D+01  0.758383D+01 -0.572096D+01  0.775449D+01
      6  -0.638154D+01  0.643519D+01 -0.936160D+01  0.257631D+00  0.842054D+01
                46            47            48            49            50 
      1  -0.935436D+01  0.911969D+01 -0.259079D+02 -0.590398D+01 -0.153040D+02
      2   0.296440D+01 -0.674928D+01  0.823602D+01 -0.601418D+01  0.213220D+02
      3   0.638996D+01 -0.237040D+01  0.176719D+02  0.119182D+02 -0.601808D+01
      4   0.915207D+01  0.399706D+00  0.391634D+01  0.562104D+01 -0.681011D+01
      5  -0.142130D+02  0.463879D+01 -0.318318D+01  0.535175D+01  0.260630D+01
      6   0.334354D+01  0.439528D+01 -0.486523D+01  0.654346D-01 -0.561771D+01
                51            52            53            54            55 
      1   0.219102D+01  0.356518D+02 -0.492291D+01  0.983307D+01 -0.379922D+02
      2  -0.102843D+02 -0.886852D+01  0.161317D+00 -0.509975D+01  0.128745D+02
      3   0.809324D+01 -0.267832D+02  0.476159D+01 -0.473332D+01  0.251176D+02
      4   0.173679D+01 -0.438268D+01 -0.753481D+00  0.707800D+01  0.688063D+00
      5   0.663624D+01  0.470725D+01  0.639810D+01 -0.638314D+01 -0.383296D+01
      6   0.410142D+01  0.107818D+02 -0.272757D+01  0.755498D+01  0.182362D+01
                56            57            58            59            60 
      1  -0.104008D+02 -0.421318D+01 -0.366633D+02 -0.282219D+02 -0.430548D+01
      2   0.755688D+01 -0.106629D+01  0.259713D+02  0.318979D+01  0.458598D+01
      3   0.284394D+01  0.527947D+01  0.106920D+02  0.250322D+02 -0.280500D+00
      4  -0.227640D+02 -0.246282D+00 -0.483057D+02  0.254224D+02 -0.116723D+02
      5  -0.657161D+00 -0.958024D+01 -0.408340D+01 -0.119330D+02  0.120276D+01
      6   0.500968D+00  0.157905D+01 -0.355295D+00  0.396409D+01 -0.539740D-01
                61            62            63            64            65 
      1  -0.281920D+02 -0.731294D+01 -0.652517D+01 -0.453224D+02  0.153352D+02
      2   0.472960D+01  0.705752D+01  0.115724D+02  0.292633D+02 -0.353964D+01
      3   0.234624D+02  0.255428D+00 -0.504719D+01  0.160592D+02 -0.117955D+02
      4  -0.464012D+01 -0.195701D+02  0.641448D+01  0.159831D+02  0.265179D+02
      5  -0.229381D+02  0.382952D+01  0.373244D+02 -0.119814D+00  0.306712D+01
      6   0.353327D+01 -0.160253D+01 -0.641956D+01  0.810557D+00 -0.212214D+01
                66            67            68            69            70 
      1  -0.144894D+01  0.509213D+02  0.456809D+02 -0.152185D+00  0.194957D+02
      2  -0.204422D+01 -0.219193D+02 -0.249856D+02  0.183455D+01 -0.771394D+01
      3   0.349316D+01 -0.290020D+02 -0.206953D+02 -0.168236D+01 -0.117818D+02
      4   0.256331D+01  0.426025D+02 -0.130418D+02  0.146318D+02  0.618424D+01
      5   0.166243D+02  0.694301D+01  0.167235D+02  0.263480D+01  0.309257D+02
      6   0.261014D+01  0.241527D+01  0.422855D+01 -0.337109D+00  0.251466D+01
                71            72            73            74            75 
      1   0.194609D+01  0.314854D+02  0.495783D+02 -0.590134D+01 -0.780983D+01
      2   0.306953D+01 -0.762327D+01 -0.342440D+02 -0.761855D+01  0.341145D-01
      3  -0.501563D+01 -0.238622D+02 -0.153343D+02  0.135199D+02  0.777572D+01
      4   0.186641D+02  0.470000D+01 -0.262233D+01 -0.288250D+02 -0.783297D+01
      5   0.398305D+01 -0.520047D+02 -0.764554D+01 -0.555038D+01 -0.118792D+02
      6   0.355921D+01 -0.604367D+01 -0.675319D+01 -0.251359D+01 -0.844567D+01
                76            77            78            79            80 
      1  -0.118993D+02 -0.304080D+02  0.290537D+01 -0.120369D+02  0.220035D+01
      2  -0.556069D+01  0.124914D+02 -0.112800D+02 -0.122961D+01 -0.145542D+02
      3   0.174600D+02  0.179166D+02  0.837463D+01  0.132665D+02  0.123538D+02
      4  -0.333675D+02 -0.116414D+02 -0.198517D+02 -0.898774D+01 -0.284441D+02
      5  -0.618238D+01 -0.194676D+02 -0.837288D+01 -0.192014D+02 -0.136664D+02
      6  -0.507858D+01 -0.158270D+02 -0.400336D+01 -0.102655D+02 -0.805353D+01
                81            82            83            84            85 
      1  -0.816263D+01  0.589629D+02 -0.182962D+02 -0.528969D+01 -0.300766D+02
      2   0.791584D+01 -0.317806D+02  0.861477D+01  0.110264D+01  0.145122D+02
      3   0.246787D+00 -0.271823D+02  0.968143D+01  0.418705D+01  0.155645D+02
      4  -0.183209D+02 -0.210005D+02 -0.372094D+02 -0.604878D+01 -0.563238D+02
      5   0.380385D+02 -0.845994D+01 -0.651711D+01 -0.310530D+02 -0.102078D+02
      6   0.188340D+02 -0.160648D+01 -0.451138D+01 -0.204979D+01 -0.859534D+01
                86            87            88            89            90 
      1  -0.495879D+02 -0.645179D+01 -0.147502D+02 -0.626420D+01 -0.411790D+02
      2   0.240145D+02  0.248451D+01  0.346174D+01  0.225056D+01  0.229072D+02
      3   0.255734D+02  0.396728D+01  0.112884D+02  0.401364D+01  0.182718D+02
      4   0.219496D+02 -0.394178D+02 -0.971707D+01 -0.387786D+02 -0.491303D+01
      5  -0.422387D+02 -0.409687D+01 -0.489373D+02 -0.393660D+01  0.479086D+02
      6   0.432896D+00 -0.454819D+01 -0.322472D+01 -0.484481D+01  0.131352D+01
                91            92            93            94            95 
      1   0.128372D+02 -0.425697D+01 -0.121782D+01 -0.887252D+01 -0.175986D+02
      2  -0.919718D+01 -0.204183D+01 -0.116704D+01  0.376919D+01  0.752583D+01
      3  -0.364004D+01  0.629880D+01  0.238487D+01  0.510333D+01  0.100727D+02
      4  -0.193817D+02 -0.143733D+02 -0.722825D+01 -0.397863D+02  0.135831D+02
      5  -0.592645D+01 -0.651705D+01 -0.822482D+01 -0.128633D+02 -0.269709D+01
      6  -0.408690D+01 -0.214210D+01 -0.415648D+01 -0.247632D+01 -0.473341D+01
                96            97            98            99           100 
      1  -0.671759D+01 -0.148078D+02 -0.835924D+01 -0.144416D+01 -0.729174D+01
      2   0.488321D+00 -0.467239D+00 -0.123386D+01  0.718590D+01  0.173392D+01
      3   0.622927D+01  0.152750D+02  0.959309D+01 -0.574174D+01  0.555782D+01
      4  -0.238678D+01 -0.180846D+02 -0.135661D+02 -0.157954D+02  0.139291D+02
      5  -0.130077D+02 -0.144700D+02 -0.146676D+02  0.298931D+02 -0.170819D+02
      6  -0.258548D+01 -0.762685D+01 -0.293216D+01  0.856151D+01  0.515367D+01
               101           102           103           104           105 
      1   0.610933D+01 -0.855955D+01  0.192184D+02  0.415673D+01  0.958817D+01
      2  -0.300764D+00  0.609516D+01 -0.137512D+02  0.110071D+01 -0.318020D+01
      3  -0.580857D+01  0.246439D+01 -0.546717D+01 -0.525744D+01 -0.640797D+01
      4  -0.280186D+01  0.692403D+01 -0.178141D+01 -0.138642D+02 -0.265791D+01
      5   0.612138D+01 -0.403872D+01  0.756286D+01 -0.250009D+01  0.252641D+02
      6  -0.530641D+01  0.613043D+01 -0.106409D+01 -0.210356D+01 -0.153472D+02
               106           107           108           109           110 
      1  -0.242866D+02  0.103957D+02 -0.553565D+01  0.445441D+02 -0.127802D+02
      2   0.911501D+01  0.242891D+01  0.385296D+01 -0.213702D+02  0.385205D+01
      3   0.151716D+02 -0.128246D+02  0.168269D+01 -0.231739D+02  0.892815D+01
      4   0.201133D+02 -0.188652D+02  0.208722D+02 -0.243966D+02  0.206254D+02
      5  -0.206189D+02  0.188264D+02 -0.246205D+02  0.315556D+02 -0.609601D+01
      6   0.112183D+02 -0.177164D+02  0.613413D+01 -0.109817D+02  0.399209D+01
               111           112           113           114           115 
      1   0.245066D+02 -0.158956D+02  0.366323D+01 -0.173567D+01  0.410053D+02
      2  -0.146435D+02  0.286689D+01  0.779611D+01 -0.113913D+01 -0.200860D+02
      3  -0.986312D+01  0.130287D+02 -0.114593D+02  0.287480D+01 -0.209193D+02
      4  -0.100966D+02  0.252875D+02 -0.233821D+02  0.177854D+02 -0.248719D+02
      5   0.231888D+02 -0.119494D+02  0.171997D+02 -0.199548D+02  0.362474D+02
      6  -0.768712D+01  0.587335D+01 -0.112872D+02  0.177132D+02 -0.111034D+02
               116           117           118           119           120 
      1  -0.417144D+01  0.109573D+02  0.419361D+00 -0.924073D+01 -0.124815D+02
      2  -0.412400D+01 -0.155195D+02 -0.358203D+01  0.121201D+02  0.784308D+01
      3   0.829544D+01  0.456217D+01  0.316267D+01 -0.287937D+01  0.463839D+01
      4   0.330708D+02 -0.184371D+02  0.151219D+01 -0.735709D+01  0.320463D+01
      5  -0.169102D+02  0.600168D+02 -0.792548D+01 -0.128513D+01  0.575948D+01
      6   0.162555D+02 -0.274129D+02  0.341258D+01  0.522948D+01  0.127853D+01
               121           122           123           124           125 
      1  -0.446306D+01 -0.650713D+01 -0.569218D+01 -0.134660D+02 -0.772387D+01
      2   0.128889D+02 -0.146756D+02  0.214916D+01  0.715636D+01  0.801704D+01
      3  -0.842586D+01  0.211827D+02  0.354302D+01  0.630967D+01 -0.293166D+00
      4  -0.101895D+02  0.413705D+02 -0.333231D+01  0.130765D+02 -0.180667D+02
      5   0.175678D+01 -0.270372D+01 -0.530832D+01  0.171554D+02 -0.171982D+02
      6   0.274418D+01  0.208867D+01  0.107302D+02 -0.630905D+01  0.201701D+02
               126           127           128           129           130 
      1  -0.918949D+01 -0.879368D+00 -0.830079D-01  0.355903D+01 -0.256808D+01
      2  -0.658238D+01 -0.511342D+01 -0.120195D+01  0.545348D+01 -0.618879D+00
      3   0.157719D+02  0.599279D+01  0.128496D+01 -0.901251D+01  0.318696D+01
      4  -0.152168D+02  0.108734D+01  0.234629D+01 -0.775696D+00  0.136631D+01
      5  -0.332263D+02 -0.903902D+01 -0.250776D+01  0.117559D+02 -0.277688D+01
      6   0.222569D+02  0.167677D+00 -0.172468D+01 -0.451994D+00 -0.115661D+01
               131           132           133           134           135 
      1  -0.332963D+01  0.783417D+01  0.350134D+01  0.480921D+01 -0.237162D+02
      2  -0.455435D+00  0.309531D+01  0.654330D+01  0.196123D+01 -0.142188D+02
      3   0.378507D+01 -0.109295D+02 -0.100446D+02 -0.677044D+01  0.379350D+02
      4   0.110213D+01 -0.128483D+01 -0.176421D+01 -0.315800D+01  0.203749D+01
      5  -0.262044D+01  0.434709D+01  0.116601D+02  0.398675D+01 -0.185576D+02
      6  -0.306572D+01  0.216374D+01  0.986246D+00  0.569210D+01 -0.270288D+01
               136           137           138           139           140 
      1   0.426228D+01 -0.547747D-01 -0.180899D+01  0.129271D+00 -0.166954D+01
      2  -0.571443D+01  0.948844D+00 -0.422511D+01  0.220238D+01 -0.409616D+00
      3   0.145215D+01 -0.894069D+00  0.603410D+01 -0.233165D+01  0.207916D+01
      4  -0.235097D+01  0.398028D+01 -0.113290D+01  0.274193D+01 -0.287249D+01
      5   0.111140D+02 -0.288487D+01  0.990005D+01 -0.455958D+01  0.320075D+01
      6  -0.231419D+00  0.183721D+01 -0.868637D+00  0.710799D+00 -0.280964D+01
               141           142           143           144           145 
      1   0.498300D+01 -0.293797D+01  0.382317D+01 -0.122560D+02 -0.266218D+01
      2   0.220662D+01 -0.540474D+01  0.103671D+01 -0.836310D+01 -0.279839D+01
      3  -0.718962D+01  0.834271D+01 -0.485989D+01  0.206191D+02  0.546058D+01
      4   0.127662D+01 -0.206007D+01  0.331341D+01 -0.252403D+01  0.527752D+01
      5  -0.580586D+01  0.123282D+02 -0.437599D+01  0.158124D+02 -0.916426D+01
      6   0.211029D+01 -0.190880D+01  0.488477D+01 -0.341644D+01 -0.560810D+01
               146           147           148           149           150 
      1  -0.178783D+01  0.557841D+01 -0.270141D+01 -0.474823D+01  0.882133D+01
      2   0.340799D+00  0.304865D+01 -0.436992D+00  0.120540D+01  0.584421D+00
      3   0.144703D+01 -0.862706D+01  0.313841D+01  0.354283D+01 -0.940575D+01
      4   0.365504D+01 -0.530290D+01  0.235857D+01  0.186236D+01 -0.276891D+01
      5  -0.346640D+01  0.119589D+02 -0.322264D+01 -0.268906D+01  0.420144D+01
      6  -0.354698D+01  0.619551D+01 -0.288427D+01 -0.539004D+01  0.858685D+01
               151           152           153           154           155 
      1   0.729588D+01  0.107448D+02 -0.291882D+02  0.266987D+01  0.255799D+01
      2   0.230652D+01 -0.298857D+01 -0.601234D+01 -0.327849D+01 -0.236888D+01
      3  -0.960240D+01 -0.775620D+01  0.352005D+02  0.608622D+00 -0.189105D+00
      4  -0.581464D+01 -0.513498D+01  0.791642D+01 -0.105048D+02  0.742343D+01
      5   0.111220D+02  0.530314D+01 -0.178936D+02  0.151779D+02 -0.593068D+01
      6   0.817883D+01  0.126794D+02 -0.230230D+02 -0.867484D+01  0.587518D+01
               156           157           158           159           160 
      1  -0.218354D+01  0.576074D+00 -0.374555D+01  0.542625D+01 -0.387271D+01
      2  -0.227965D+01  0.893184D+00  0.204822D+01  0.219151D-01 -0.257614D+01
      3   0.446318D+01 -0.146926D+01  0.169733D+01 -0.544816D+01  0.644885D+01
      4  -0.820051D+01  0.511307D+01 -0.528597D+01  0.567910D+01 -0.865433D+01
      5   0.138167D+02 -0.696681D+01  0.488890D+01 -0.806673D+01  0.149814D+02
      6  -0.863489D+01  0.524684D+01 -0.608132D+01  0.842927D+01 -0.100748D+02
               161           162           163           164           165 
      1   0.812156D+01 -0.153344D+02  0.758044D+01  0.528361D+00 -0.699015D+01
      2  -0.378174D+01 -0.281444D+01 -0.761083D+01 -0.739243D+00  0.618541D+01
      3  -0.433982D+01  0.181489D+02  0.303889D-01  0.210883D+00  0.804746D+00
      4   0.726567D+01 -0.104349D+02 -0.165966D+01  0.682354D+01  0.389532D+01
      5  -0.753145D+01  0.198984D+02 -0.130446D+02  0.252703D+01  0.143208D+02
      6   0.115267D+02 -0.179532D+02  0.211131D+01 -0.131449D+01 -0.214725D+01
               166           167           168           169           170 
      1   0.814913D+01  0.196675D+01 -0.154475D+01 -0.147315D+02 -0.308332D+01
      2  -0.507956D+01 -0.744909D+00  0.130479D+01  0.133174D+02  0.589792D+00
      3  -0.306957D+01 -0.122184D+01  0.239954D+00  0.141407D+01  0.249353D+01
      4   0.734602D+01 -0.338532D+01 -0.420702D+01  0.559839D+01 -0.855527D+01
      5  -0.605825D+00 -0.450923D+01  0.114011D+01  0.216941D+02 -0.784315D+01
      6  -0.145362D+01  0.128331D+01  0.495181D+01 -0.493053D+01  0.637430D+01
               171           172           173           174           175 
      1  -0.552044D+01  0.204056D+02 -0.828504D+01  0.379805D+01 -0.148537D+02
      2  -0.134811D+02 -0.393303D+01 -0.780150D+00 -0.873292D+00 -0.229864D+01
      3   0.190016D+02 -0.164726D+02  0.906519D+01 -0.292476D+01  0.171524D+02
      4  -0.105726D+02 -0.207066D+02  0.228213D+02 -0.158156D+01  0.339230D+02
      5  -0.439289D+02  0.454942D+01 -0.369572D+00  0.475053D+01 -0.103537D+01
      6   0.117461D+02 -0.114808D+01 -0.236026D+00 -0.123339D+01  0.402132D+00
               176           177           178           179           180 
      1  -0.690596D-01  0.423864D+00  0.189704D+02  0.150708D+01  0.145237D+01
      2   0.207615D+02 -0.262103D+01 -0.581341D+01 -0.488049D+01 -0.148545D+00
      3  -0.206925D+02  0.219717D+01 -0.131569D+02  0.337340D+01 -0.130382D+01
      4  -0.504641D+02  0.599835D+01 -0.874037D+01  0.150567D+02 -0.841431D+01
      5   0.538669D+01 -0.595404D+01  0.841161D+01 -0.727950D+01  0.223293D+01
      6  -0.122928D+01  0.457147D+01 -0.320185D+01  0.521554D+01 -0.217547D+01
               181           182           183           184           185 
      1  -0.207849D+01 -0.285439D+01  0.115055D+02 -0.849381D+01 -0.110331D+02
      2  -0.258360D+01  0.593823D+00 -0.325414D+01  0.361554D+01  0.495501D+01
      3   0.466210D+01  0.226057D+01 -0.825132D+01  0.487828D+01  0.607812D+01
      4  -0.431370D+01 -0.411711D+01  0.100419D+00 -0.348507D+01  0.868752D+00
      5   0.732565D+01 -0.330757D+00 -0.239034D+01  0.837131D+00  0.451378D+01
      6   0.127169D+01 -0.718201D-01 -0.132867D+01 -0.383968D+00  0.172204D+00
               186           187           188           189           190 
      1  -0.947817D-01  0.201692D+02 -0.656355D+00 -0.223140D+02 -0.532795D+02
      2   0.950055D+00 -0.903508D+01  0.130136D+01 -0.894080D+01  0.306840D+02
      3  -0.855273D+00 -0.111342D+02 -0.645008D+00  0.312548D+02  0.225955D+02
      4   0.413847D+01  0.137939D+01  0.662636D+01 -0.196214D+01 -0.168720D+02
      5  -0.106137D+01  0.530474D+00 -0.564330D+00  0.499679D+02  0.320475D+01
      6   0.608178D+01 -0.163019D+00  0.358591D+01  0.631304D+01  0.241746D+01
               191           192           193           194           195 
      1   0.144600D+02  0.242274D+01  0.752091D+01 -0.101917D+02 -0.721848D+00
      2  -0.149418D+02 -0.110918D+01 -0.796817D+01  0.930880D+01  0.156399D+01
      3   0.481853D+00 -0.131356D+01  0.447261D+00  0.882880D+00 -0.842144D+00
      4  -0.468629D+01  0.233468D+01  0.119196D+01 -0.799601D+00  0.192841D+01
      5   0.102807D+01 -0.188821D+01  0.471010D-01  0.239121D+01  0.900190D+00
      6   0.262010D+00 -0.359085D+01  0.493420D+00  0.115348D+01  0.196938D+01
               196           197           198           199           200 
      1   0.401645D+01 -0.242178D+01 -0.536396D+01  0.247160D+01  0.158614D+01
      2  -0.145764D+01  0.310932D+01  0.213511D+01 -0.190150D+01  0.158571D+01
      3  -0.255881D+01 -0.687542D+00  0.322885D+01 -0.570102D+00 -0.317186D+01
      4   0.148128D+01  0.378492D+01  0.170461D+01  0.554999D+01  0.927800D+01
      5   0.906536D+00  0.278490D+01 -0.290026D+01 -0.972834D+01 -0.342326D+01
      6  -0.220773D+01  0.342565D+01 -0.887626D+00 -0.375523D+01 -0.191462D+01
               201           202           203           204           205 
      1  -0.654192D+01 -0.618134D+00 -0.273577D+00  0.258502D+01 -0.112872D+02
      2   0.505606D+01  0.222941D+01  0.163097D+01 -0.265480D+01  0.780975D+01
      3   0.148586D+01 -0.161127D+01 -0.135740D+01  0.697823D-01  0.347741D+01
      4  -0.531021D+01  0.606217D+01  0.621927D+01 -0.509123D+01 -0.885898D+01
      5   0.132840D+02 -0.710132D+00 -0.538558D+01  0.367294D+01  0.153952D+02
      6   0.503295D+01 -0.149767D+01 -0.328324D+01  0.753633D+01  0.695704D+01
               206           207           208           209           210 
      1   0.580150D+01 -0.692610D+01  0.140342D+02  0.905949D+01  0.562357D+01
      2  -0.579930D+01 -0.811576D+01  0.167423D+01  0.797817D+01 -0.168715D+00
      3  -0.219822D-02  0.150419D+02 -0.157084D+02 -0.170377D+02 -0.545486D+01
      4  -0.141724D+02  0.162215D+02  0.264529D+02  0.333867D+02  0.850085D+01
      5   0.141273D+02 -0.485819D+02  0.809496D+01  0.592667D+01  0.900577D+01
      6   0.124995D+02 -0.276956D+02  0.515153D+01  0.458237D+01  0.615983D+01
               211           212           213           214           215 
      1   0.929054D+01 -0.184484D+01 -0.878756D+00  0.100054D+02 -0.198288D+01
      2   0.783494D+01  0.296330D+02  0.758633D+01 -0.673373D+00  0.122877D+02
      3  -0.171255D+02 -0.277882D+02 -0.670757D+01 -0.933205D+01 -0.103049D+02
      4   0.329782D+02  0.545427D+02  0.151341D+02  0.158831D+02  0.268145D+02
      5   0.654408D+01  0.135619D+02  0.105694D+02  0.111286D+02  0.135400D+02
      6   0.544465D+01  0.119783D+02  0.980396D+01  0.738419D+01  0.118650D+02
               216           217           218           219           220 
      1   0.146775D+01  0.233158D+02  0.133689D+01 -0.187453D+02  0.391593D+01
      2   0.221862D+01 -0.138877D+02 -0.561172D+00  0.108347D+02 -0.177702D+01
      3  -0.368637D+01 -0.942812D+01 -0.775717D+00  0.791064D+01 -0.213891D+01
      4   0.155009D+02  0.206393D+01  0.804266D+01  0.303171D+00  0.137336D+02
      5   0.926997D+01 -0.198346D+02  0.686039D+00  0.225872D+02  0.283285D-01
      6   0.808060D+01 -0.358469D+00  0.198457D+00  0.392146D+00 -0.937102D+00
               221           222           223           224           225 
      1   0.940334D+01  0.558544D+00 -0.484129D+02  0.188225D+01  0.278424D+02
      2  -0.472677D+01 -0.544349D+00  0.285640D+02 -0.154235D+01 -0.231928D+02
      3  -0.467656D+01 -0.141953D-01  0.198489D+02 -0.339904D+00 -0.464966D+01
      4  -0.157918D+01 -0.480482D+01  0.195739D+00 -0.113059D+02  0.769646D+00
      5  -0.458731D+01  0.136419D+01  0.418069D+02 -0.141767D+00 -0.689925D+02
      6  -0.549967D+00  0.400717D+01  0.147427D+01  0.409669D+01 -0.198571D+01
               226           227           228           229           230 
      1   0.231492D+02 -0.193739D+02  0.967708D+01 -0.430639D+02  0.286119D+02
      2  -0.109700D+02  0.910864D+01 -0.509026D+01  0.207854D+02 -0.867158D+01
      3  -0.121792D+02  0.102652D+02 -0.458682D+01  0.222785D+02 -0.199403D+02
      4  -0.200665D+02  0.226715D+02 -0.627724D+01  0.397896D+02 -0.630308D+02
      5   0.111674D+02 -0.695821D+01  0.109820D+02 -0.135131D+02  0.223767D+02
      6  -0.228084D+01  0.178751D+01 -0.880140D+00  0.400257D+01 -0.677484D+01
               231           232           233           234           235 
      1  -0.812437D+01  0.204220D+02 -0.708999D+01  0.125239D+02  0.563917D+02
      2   0.483153D+01 -0.112060D+02  0.425900D+01 -0.880157D+01 -0.272599D+02
      3   0.329284D+01 -0.921599D+01  0.283099D+01 -0.372231D+01 -0.291318D+02
      4   0.210768D+02 -0.108601D+02  0.233057D+02 -0.135278D+02  0.318612D+02
      5  -0.186872D+02  0.195131D+02 -0.146473D+02  0.124547D+02  0.235531D+02
      6   0.555272D+01 -0.214871D+01  0.577467D+01 -0.396031D+01  0.486434D+01
               236           237           238           239           240 
      1   0.266268D+02  0.188680D+02  0.555951D+02  0.281719D+02  0.128789D+02
      2  -0.119083D+02 -0.100289D+02 -0.250632D+02 -0.816571D+01 -0.650215D+01
      3  -0.147186D+02 -0.883905D+01 -0.305319D+02 -0.200062D+02 -0.637674D+01
      4   0.266673D+02  0.114413D+02  0.431811D+02  0.404389D+02  0.203179D+02
      5   0.118010D+02  0.196534D+02  0.206282D+02  0.207979D+02  0.200398D+02
      6   0.303610D+01  0.279895D+01  0.625267D+01  0.669002D+01  0.608447D+01
               241           242           243           244           245 
      1   0.361697D+02  0.112172D+02  0.199282D+02  0.508035D+00  0.320199D+01
      2  -0.193686D+02 -0.538896D+01 -0.130240D+02 -0.381930D+01 -0.142487D+01
      3  -0.168011D+02 -0.582827D+01 -0.690416D+01  0.331127D+01 -0.177712D+01
      4   0.180889D+02  0.228497D+02  0.153000D+02  0.585368D+01  0.545827D+01
      5   0.307823D+02  0.157602D+02  0.199259D+02 -0.118811D+02 -0.137349D+01
      6   0.532216D+01  0.615724D+01  0.556282D+01 -0.360637D+01 -0.384004D+00
               246           247           248           249           250 
      1  -0.685290D+01  0.388723D+01  0.348413D+00  0.209929D+01 -0.887191D+01
      2   0.524615D+01 -0.157524D+01 -0.169429D+00 -0.508272D+00  0.878126D+01
      3   0.160675D+01 -0.231199D+01 -0.178984D+00 -0.159102D+01  0.906574D-01
      4  -0.240114D+01  0.906753D+01  0.465453D+01 -0.712022D+01 -0.444671D+01
      5   0.119118D+02 -0.211388D+01 -0.717083D+01  0.845871D+01  0.171002D+02
      6   0.209800D+01 -0.166645D+01 -0.385879D+01  0.666385D+01  0.319765D+01
               251           252           253           254           255 
      1   0.233884D+01 -0.542127D+01 -0.805181D+02 -0.126889D+02  0.806932D+01
      2   0.351597D+00 -0.126893D+02  0.402470D+02  0.159610D+02 -0.525972D+01
      3  -0.269044D+01  0.181106D+02  0.402711D+02 -0.327210D+01 -0.280960D+01
      4  -0.107509D+02  0.907857D+01 -0.189779D+02  0.235326D+02  0.781783D+01
      5   0.767594D+01 -0.408869D+02  0.100209D+02  0.449538D+01  0.972220D+01
      6   0.618575D+01 -0.116126D+02  0.787090D+01  0.378419D+01  0.399300D+01
               256           257           258           259           260 
      1   0.946585D+01  0.352397D+02  0.686261D-01  0.255032D+02  0.131961D+01
      2   0.296535D+01 -0.350337D+02  0.434326D+00 -0.898622D+01  0.417798D+01
      3  -0.124312D+02 -0.206040D+00 -0.502952D+00 -0.165170D+02 -0.549759D+01
      4   0.335933D+02 -0.132757D+02  0.115959D+02  0.201433D+02  0.190511D+02
      5   0.104948D+02  0.143751D+02  0.124952D+02  0.152660D+02  0.111548D+02
      6   0.691761D+01  0.479836D+01  0.672109D+01  0.774078D+01  0.727173D+01
               261           262           263           264           265 
      1   0.129660D+02  0.445286D+01 -0.690417D+01 -0.139298D+01 -0.458722D+01
      2   0.598667D+01  0.328753D+01 -0.324920D+01 -0.245032D+00 -0.779044D+01
      3  -0.189527D+02 -0.774039D+01  0.101534D+02  0.163801D+01  0.123777D+02
      4   0.146208D+02 -0.139440D+02  0.204448D+02  0.400950D+01  0.255446D+02
      5  -0.263450D+02 -0.476103D+01  0.534691D+01  0.365739D+01  0.637424D+01
      6  -0.845033D+01  0.328204D+01 -0.393647D+01 -0.162257D+01 -0.523004D+01
               266           267           268           269           270 
      1  -0.105578D+02 -0.308737D+01  0.619890D+00 -0.833152D-01 -0.160343D+01
      2   0.379340D+02  0.488863D+01  0.250919D+01 -0.735329D+01  0.169482D+01
      3  -0.273762D+02 -0.180126D+01 -0.312908D+01  0.743661D+01 -0.913843D-01
      4  -0.630212D+02 -0.117824D+02 -0.443757D+01  0.106224D+02 -0.339101D+01
      5  -0.139539D+02 -0.109530D+02  0.183153D+01 -0.314374D+01 -0.290812D+01
      6   0.165246D+02  0.826796D+01 -0.103701D+01  0.360053D+01  0.191600D+01
               271           272           273           274           275 
      1   0.125148D+03  0.135673D+02 -0.407226D+01 -0.198582D+01  0.694588D+01
      2  -0.582082D+02 -0.224203D+01  0.154560D+01  0.411918D+01 -0.836444D-01
      3  -0.669394D+02 -0.113253D+02  0.252666D+01 -0.213336D+01 -0.686223D+01
      4   0.483615D+02  0.206080D+02  0.145333D+00  0.129355D+02  0.652232D+01
      5   0.397763D+01  0.153350D+01  0.130706D+02 -0.799298D+00 -0.176943D+01
      6  -0.731232D+00  0.134120D+01  0.413605D+01  0.626474D-01 -0.225187D+00
               276           277           278           279           280 
      1   0.177625D+00 -0.162502D+02 -0.161571D+01  0.929618D+01 -0.449803D+00
      2  -0.356312D+00  0.673597D+01 -0.779756D+00 -0.653924D+01  0.360518D+01
      3   0.178687D+00  0.951428D+01  0.239546D+01 -0.275695D+01 -0.315538D+01
      4  -0.199877D+01 -0.797998D+01 -0.564251D+01  0.258224D+01  0.320039D+01
      5  -0.116954D+01  0.131502D+02  0.591877D+00 -0.705714D+00 -0.236715D+01
      6   0.830926D-01  0.371256D+01  0.828679D+00 -0.267114D+00 -0.936857D+00
               281           282           283           284           285 
      1   0.144690D+02 -0.128673D+01  0.116338D+02 -0.327222D+02 -0.133776D+00
      2  -0.156735D+02  0.967120D+00 -0.544052D+01  0.530213D+02 -0.102415D+01
      3   0.120452D+01  0.319610D+00 -0.619325D+01 -0.202991D+02  0.115792D+01
      4  -0.820893D+01 -0.193445D+01  0.880621D+01  0.504265D+02 -0.475306D+00
      5  -0.850507D-01 -0.283427D+01  0.133096D+01 -0.300481D+01  0.596660D+01
      6  -0.149587D+01 -0.253451D+01 -0.643455D-01  0.406275D+01  0.670112D+01
               286           287           288           289           290 
      1  -0.526549D+01  0.191595D+01 -0.578196D+01  0.523977D+01  0.104774D+01
      2   0.173076D+01 -0.553630D+01  0.450692D+01 -0.552726D+01 -0.193542D+01
      3   0.353472D+01  0.362035D+01  0.127504D+01  0.287497D+00  0.887682D+00
      4  -0.448610D+01 -0.889407D+01  0.341609D+01 -0.471491D+00 -0.292401D+01
      5  -0.158501D+00  0.469267D+01  0.241173D+00  0.364539D+01 -0.124967D+01
      6  -0.721755D+00  0.628786D+01 -0.653217D+00  0.324612D+00 -0.147692D+01
               291           292           293           294           295 
      1   0.587642D+01 -0.544322D+01 -0.589941D+01 -0.639998D+00  0.112140D+02
      2  -0.234378D+01  0.197720D+01  0.306139D+01  0.308846D+01 -0.672921D+01
      3  -0.353264D+01  0.346602D+01  0.283802D+01 -0.244846D+01 -0.448476D+01
      4   0.248943D+00 -0.369848D+01 -0.298696D+01  0.238120D+01  0.639010D+01
      5   0.600938D+00 -0.255988D+01  0.218411D+01 -0.530595D+01  0.102581D+02
      6  -0.113985D+01 -0.898918D+00  0.414837D-02  0.144792D+01  0.235151D+01
               296           297 
      1  -0.125545D+01 -0.117321D+02
      2   0.352447D+01 -0.130051D+02
      3  -0.226903D+01  0.247372D+02
      4   0.100677D+02  0.938226D+00
      5   0.197006D+01  0.441327D+02
      6   0.501861D+01  0.176701D+02
 Leave Link  716 at Mon Sep 27 10:45:42 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.216620D+03 -0.175630D+01  0.200050D+01
      2  -0.175630D+01  0.135948D+03 -0.757722D+01
      3   0.200050D+01 -0.757722D+01  0.147268D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.790605D+01 -0.729883D+01  0.229045D+02
      2  -0.527490D+00 -0.597066D+01  0.339558D+02
      3  -0.985596D+02 -0.404746D+02  0.113812D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.240274D+03  0.379325D+02 -0.222225D+02
      2  -0.128559D+03 -0.222713D+02  0.405926D+02
      3  -0.111715D+03 -0.156613D+02 -0.183701D+02
      4  -0.404212D+02  0.728699D+02 -0.134383D+02
      5  -0.252910D+02 -0.190960D+02  0.705545D+02
      6   0.506001D+00  0.212670D+02 -0.346491D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.119108D+02 -0.140152D+00  0.764383D+00  0.574981D+01  0.203688D+01
      2  -0.140152D+00  0.999820D+00 -0.265193D-01  0.203688D+01  0.195920D+01
      3   0.764383D+00 -0.265193D-01  0.108315D+01 -0.205440D+00 -0.278135D+01
                 6             7             8             9            10 
      1  -0.205440D+00 -0.990117D+01  0.247735D+00 -0.168652D+00  0.299589D+02
      2  -0.278135D+01  0.247735D+00 -0.111606D+01 -0.102415D+01  0.150020D+01
      3  -0.221368D+01 -0.168652D+00 -0.102415D+01 -0.202584D+01 -0.107946D+01
                11            12            13            14            15 
      1   0.150020D+01 -0.107946D+01 -0.649288D+00  0.448689D+01  0.133010D+01
      2   0.182166D+01 -0.694348D+00  0.448689D+01 -0.839884D+00 -0.203056D+00
      3  -0.694348D+00  0.276961D+01  0.133010D+01 -0.203056D+00 -0.782552D+00
                16            17            18            19            20 
      1  -0.378554D+01  0.156316D+01  0.996628D+00  0.872998D+01 -0.267653D-01
      2   0.156316D+01  0.181153D+00 -0.763574D+00 -0.267653D-01 -0.920633D+00
      3   0.996628D+00 -0.763574D+00 -0.269992D+00 -0.701231D+00 -0.291983D+00
                21            22            23            24            25 
      1  -0.701231D+00  0.392695D+01 -0.146132D+01 -0.102401D+01 -0.130010D+02
      2  -0.291983D+00 -0.146132D+01  0.248693D+01 -0.224421D+01 -0.105188D+00
      3  -0.281011D+01 -0.102401D+01 -0.224421D+01 -0.115373D+01  0.314933D+00
                26            27            28            29            30 
      1  -0.105188D+00  0.314933D+00 -0.272280D+02 -0.559602D+00  0.100072D+01
      2  -0.758794D+00 -0.696934D+00 -0.559602D+00 -0.138137D+01  0.207884D+00
      3  -0.696934D+00 -0.159368D+01  0.100072D+01  0.207884D+00 -0.255769D+01
                31            32            33            34            35 
      1   0.224702D+01 -0.493432D+01 -0.146527D+01  0.259419D+01 -0.135200D+01
      2  -0.493432D+01  0.497940D+00  0.356206D+00 -0.135200D+01  0.672276D-02
      3  -0.146527D+01  0.356206D+00 -0.418985D-01 -0.654037D+00 -0.798706D+00
                36            37            38            39            40 
      1  -0.654037D+00  0.130121D+02 -0.346579D+00 -0.765014D+00 -0.372720D+01
      2  -0.798706D+00 -0.346579D+00 -0.186850D+01  0.132701D+01 -0.170201D+01
      3   0.808811D+00 -0.765014D+00  0.132701D+01 -0.181513D+01 -0.581372D-01
                41            42            43            44            45 
      1  -0.170201D+01 -0.581372D-01  0.108624D+02 -0.160837D+01  0.338098D+00
      2  -0.258283D+01  0.259971D+01 -0.160837D+01  0.105405D+01  0.127796D+01
      3   0.259971D+01  0.201375D+01  0.338098D+00  0.127796D+01  0.167959D+01
                46            47            48            49            50 
      1  -0.959465D+01  0.369783D+00  0.457900D+00 -0.280955D+01  0.113694D+01
      2   0.369783D+00  0.139273D+01 -0.716844D+00  0.113694D+01 -0.339194D+01
      3   0.457900D+00 -0.716844D+00  0.312376D+01  0.142236D+01  0.210829D+01
                51            52            53            54            55 
      1   0.142236D+01  0.127492D+02  0.121453D+01 -0.839107D+00 -0.148686D+02
      2   0.210829D+01  0.121453D+01 -0.582209D-01  0.136945D+01 -0.215161D+01
      3   0.111812D+01 -0.839107D+00  0.136945D+01  0.778543D+00 -0.463513D+00
                56            57            58            59            60 
      1  -0.215161D+01 -0.463513D+00 -0.529797D+01 -0.694980D+01 -0.548635D+00
      2  -0.333576D+01 -0.126883D+00 -0.694980D+01  0.242864D+01 -0.163423D+01
      3  -0.126883D+00 -0.136206D+01 -0.548635D+00 -0.163423D+01  0.697583D-01
                61            62            63            64            65 
      1  -0.544835D+01 -0.122314D+01 -0.291222D+01 -0.553577D+00  0.296814D+01
      2  -0.122314D+01 -0.285237D+01  0.528890D+00  0.296814D+01  0.357562D+01
      3  -0.291222D+01  0.528890D+00  0.514245D+01  0.100170D+00  0.389350D+00
                66            67            68            69            70 
      1   0.100170D+00  0.105342D+02  0.606374D+01  0.740765D+00  0.550338D+01
      2   0.389350D+00  0.606374D+01 -0.155867D+01  0.198712D+01  0.129884D+01
      3   0.227089D+01  0.740765D+00  0.198712D+01  0.534283D+00  0.338213D+01
                71            72            73            74            75 
      1   0.129884D+01  0.338213D+01  0.579222D+01 -0.228770D+01 -0.118312D+01
      2   0.284083D+01  0.573381D+00 -0.228770D+01 -0.331864D+01 -0.661496D+00
      3   0.573381D+00 -0.678476D+01 -0.118312D+01 -0.661496D+00 -0.177310D+01
                76            77            78            79            80 
      1  -0.368045D+01 -0.367620D+01 -0.867398D+00 -0.214461D+01 -0.929636D+00
      2  -0.367620D+01 -0.451286D-01 -0.270884D+01 -0.929636D+00 -0.375147D+01
      3  -0.867398D+00 -0.270884D+01 -0.113578D+01 -0.250015D+01 -0.180560D+01
                81            82            83            84            85 
      1  -0.250015D+01  0.525570D+01 -0.180274D+01 -0.550565D+00 -0.357937D+01
      2  -0.180560D+01 -0.180274D+01 -0.338100D+01 -0.527982D+00 -0.516537D+01
      3   0.506782D+01 -0.550565D+00 -0.527982D+00 -0.279399D+01 -0.832366D+00
                86            87            88            89            90 
      1  -0.516537D+01 -0.832366D+00 -0.185374D+01 -0.888886D+00 -0.420961D+01
      2   0.212282D+01 -0.357997D+01 -0.888886D+00 -0.369053D+01 -0.320598D+00
      3  -0.357997D+01 -0.450845D+00 -0.420961D+01 -0.320598D+00  0.436169D+01
                91            92            93            94            95 
      1   0.380276D+01  0.248597D+01  0.280338D+00 -0.553170D+00  0.563224D+01
      2   0.248597D+01  0.178342D+01  0.902349D+00  0.563224D+01 -0.302516D+01
      3   0.280338D+00  0.902349D+00  0.133908D+01  0.176581D+01  0.106254D+00
                96            97            98            99           100 
      1   0.176581D+01  0.343351D+01  0.168341D+01  0.182997D+01  0.306427D+01
      2   0.106254D+00  0.168341D+01  0.183295D+01  0.189334D+01 -0.178416D+01
      3   0.145969D+01  0.182997D+01  0.189334D+01 -0.414167D+01  0.168252D+01
               101           102           103           104           105 
      1  -0.178416D+01  0.168252D+01 -0.190319D+01 -0.646521D+00 -0.132618D+01
      2   0.298554D+00 -0.812189D+00 -0.646521D+00  0.295093D+01  0.384012D-01
      3  -0.812189D+00  0.469959D+00 -0.132618D+01  0.384012D-01 -0.197443D+01
               106           107           108           109           110 
      1   0.278716D+01 -0.246239D+01  0.140624D+01 -0.545832D+01  0.205642D+01
      2  -0.246239D+01  0.185978D+01 -0.239788D+01  0.205642D+01 -0.153663D+01
      3   0.140624D+01 -0.239788D+01  0.299020D+01 -0.347143D+01  0.648678D+00
               111           112           113           114           115 
      1  -0.347143D+01  0.309765D+01 -0.237403D+01  0.123434D+01 -0.783702D+01
      2   0.648678D+00 -0.237403D+01  0.263856D+01 -0.219016D+01  0.293888D+01
      3  -0.192075D+01  0.123434D+01 -0.219016D+01  0.211937D+01 -0.322806D+01
               116           117           118           119           120 
      1   0.293888D+01 -0.322806D+01  0.815269D+00 -0.362433D-01  0.118690D+01
      2  -0.435462D+01  0.199952D+01 -0.362433D-01  0.215184D+01  0.412828D+00
      3   0.199952D+01 -0.752972D+01  0.118690D+01  0.412828D+00  0.270002D+00
               121           122           123           124           125 
      1   0.197971D+00  0.209287D+01  0.138255D+00  0.348741D+01 -0.122758D+01
      2   0.209287D+01 -0.551629D+01  0.832131D+00 -0.122758D+01  0.295010D+01
      3   0.138255D+00  0.832131D+00  0.377087D+00 -0.100008D+01  0.251507D+01
               126           127           128           129           130 
      1  -0.100008D+01  0.195678D+01  0.605717D+00 -0.195558D+01  0.282434D+00
      2   0.251507D+01  0.605717D+00  0.309519D+00 -0.409504D+00  0.152968D+00
      3   0.454515D+01 -0.195558D+01 -0.409504D+00  0.210062D+01 -0.661741D+00
               131           132           133           134           135 
      1   0.152968D+00 -0.661741D+00 -0.225816D+01 -0.869399D+00  0.255845D+01
      2   0.430189D+00 -0.598569D+00 -0.869399D+00 -0.124587D+01  0.165973D+01
      3  -0.598569D+00  0.221910D+01  0.255845D+01  0.165973D+01 -0.700221D+01
               136           137           138           139           140 
      1  -0.367823D+01  0.973388D+00 -0.183788D+01  0.152766D+01 -0.566423D+00
      2   0.973388D+00 -0.765140D+00  0.567566D+00 -0.566423D+00  0.580392D+00
      3  -0.183788D+01  0.567566D+00 -0.177428D+01  0.109285D+01 -0.576213D+00
               141           142           143           144           145 
      1   0.109285D+01 -0.245889D+01  0.904649D+00 -0.243156D+01 -0.206521D+01
      2  -0.576213D+00  0.904649D+00 -0.124116D+01  0.139664D+01 -0.650288D+00
      3   0.174053D+01 -0.243156D+01  0.139664D+01 -0.443706D+01  0.204483D+01
               146           147           148           149           150 
      1  -0.650288D+00  0.204483D+01 -0.468404D+00 -0.167843D+00  0.689612D+00
      2  -0.384496D+00  0.635768D+00 -0.167843D+00 -0.596209D+00  0.787415D+00
      3   0.635768D+00 -0.222769D+01  0.689612D+00  0.787415D+00 -0.230600D+01
               151           152           153           154           155 
      1   0.207720D+01  0.100965D+01 -0.263516D+01  0.361330D+01 -0.111382D+01
      2   0.100965D+01  0.162774D+01 -0.236173D+01 -0.111382D+01  0.955753D+00
      3  -0.263516D+01 -0.236173D+01  0.731296D+01  0.247578D+01 -0.108657D+01
               156           157           158           159           160 
      1   0.247578D+01 -0.181604D+01  0.700307D+00 -0.135431D+01  0.264621D+01
      2  -0.108657D+01  0.700307D+00 -0.846295D+00  0.890852D+00 -0.122546D+01
      3   0.230530D+01 -0.135431D+01  0.890852D+00 -0.203826D+01  0.284630D+01
               161           162           163           164           165 
      1  -0.122546D+01  0.284630D+01  0.113147D+01 -0.495455D-02 -0.144056D+01
      2   0.165082D+01 -0.208840D+01 -0.495455D-02  0.741959D+00  0.275826D+00
      3  -0.208840D+01  0.499183D+01 -0.144056D+01  0.275826D+00  0.133565D+01
               166           167           168           169           170 
      1   0.162045D+01  0.115285D+01 -0.545974D-01 -0.362546D+01  0.104071D+00
      2   0.115285D+01 -0.334501D+00 -0.661253D+00  0.104071D+00 -0.117106D+01
      3  -0.545974D-01 -0.661253D+00  0.939559D-01  0.233586D+01 -0.113201D+01
               171           172           173           174           175 
      1   0.233586D+01  0.404613D+01 -0.180261D+01  0.634733D+00 -0.413769D+01
      2  -0.113201D+01 -0.180261D+01  0.223835D+01 -0.531260D-01  0.331902D+01
      3  -0.615517D+01  0.634733D+00 -0.531260D-01  0.392437D+00 -0.176720D+00
               176           177           178           179           180 
      1   0.331902D+01 -0.176720D+00  0.463296D+01 -0.382764D+00  0.100983D+01
      2  -0.648598D+01  0.806051D+00 -0.382764D+00  0.197159D+01 -0.101342D+01
      3   0.806051D+00 -0.789153D+00  0.100983D+01 -0.101342D+01  0.280529D+00
               181           182           183           184           185 
      1  -0.671829D+00 -0.722736D+00  0.123806D+01 -0.151468D+01 -0.853178D+00
      2  -0.722736D+00 -0.818864D+00 -0.724497D-01 -0.853178D+00  0.161485D+00
      3   0.123806D+01 -0.724497D-01 -0.976326D+00  0.936683D-01  0.697257D+00
               186           187           188           189           190 
      1   0.936683D-01  0.222617D+01  0.128151D+00 -0.544881D+00 -0.853815D+01
      2   0.697257D+00  0.128151D+00  0.108065D+01 -0.363839D-01  0.562831D+00
      3  -0.932239D-01 -0.544881D+00 -0.363839D-01  0.707612D+01  0.461596D+00
               191           192           193           194           195 
      1   0.562831D+00  0.461596D+00  0.228605D+00 -0.143248D+01  0.556504D-01
      2  -0.235485D+01  0.801231D-01 -0.143248D+01  0.636157D+00  0.332608D+00
      3   0.801231D-01 -0.676553D+00  0.556504D-01  0.332608D+00  0.371917D+00
               196           197           198           199           200 
      1   0.543088D+00 -0.100476D+00 -0.353030D+00  0.416677D+00  0.604612D+00
      2  -0.100476D+00  0.605621D+00  0.529279D+00  0.604612D+00  0.927422D+00
      3  -0.353030D+00  0.529279D+00 -0.265639D+00 -0.983629D+00 -0.307346D+00
               201           202           203           204           205 
      1  -0.983629D+00  0.300811D+00  0.573297D+00 -0.950398D-01 -0.181005D+01
      2  -0.307346D+00  0.573297D+00  0.743166D+00 -0.705576D+00 -0.537531D+00
      3   0.129388D+01 -0.950398D-01 -0.705576D+00  0.597177D+00  0.143901D+01
               206           207           208           209           210 
      1  -0.537531D+00  0.143901D+01  0.237527D+01  0.257154D+01  0.926134D+00
      2  -0.199976D+01  0.188342D+01  0.257154D+01  0.334845D+01  0.714491D+00
      3   0.188342D+01 -0.654439D+01  0.926134D+00  0.714491D+00  0.972807D+00
               211           212           213           214           215 
      1   0.234499D+01  0.320763D+01  0.844949D+00  0.185814D+01  0.145084D+01
      2   0.320763D+01  0.657408D+01  0.188363D+01  0.145084D+01  0.335703D+01
      3   0.844949D+00  0.188363D+01  0.135712D+01  0.124340D+01  0.178453D+01
               216           217           218           219           220 
      1   0.124340D+01  0.180974D+01  0.132415D+00 -0.153423D+01  0.419070D+00
      2   0.178453D+01  0.132415D+00  0.593828D+00  0.545012D-01  0.109688D+01
      3   0.113650D+01 -0.153423D+01  0.545012D-01  0.161338D+01 -0.534097D-02
               221           222           223           224           225 
      1   0.109688D+01 -0.534097D-02 -0.442517D+01  0.113343D+00  0.327027D+01
      2  -0.151226D+00 -0.441061D+00  0.113343D+00 -0.985116D+00 -0.331463D-01
      3  -0.441061D+00  0.132364D+00  0.327027D+01 -0.331463D-01 -0.597942D+01
               226           227           228           229           230 
      1   0.174991D+01 -0.167463D+01  0.837719D+00 -0.392898D+01  0.326454D+01
      2  -0.167463D+01  0.171384D+01 -0.488641D+00  0.326454D+01 -0.571995D+01
      3   0.837719D+00 -0.488641D+00  0.815436D+00 -0.100227D+01  0.188543D+01
               231           232           233           234           235 
      1  -0.100227D+01  0.192987D+01 -0.897284D+00  0.153705D+01  0.467536D+01
      2   0.188543D+01 -0.897284D+00  0.211942D+01 -0.126276D+01  0.242217D+01
      3  -0.153150D+01  0.153705D+01 -0.126276D+01  0.106321D+01  0.171521D+01
               236           237           238           239           240 
      1   0.242217D+01  0.171521D+01  0.547258D+01  0.340417D+01  0.155214D+01
      2   0.194180D+01  0.882566D+00  0.340417D+01  0.337752D+01  0.173472D+01
      3   0.882566D+00  0.138515D+01  0.155214D+01  0.173472D+01  0.159100D+01
               241           242           243           244           245 
      1   0.359666D+01  0.142440D+01  0.237469D+01  0.361630D+00 -0.824695D+00
      2   0.142440D+01  0.195888D+01  0.130196D+01 -0.824695D+00 -0.495658D+00
      3   0.237469D+01  0.130196D+01  0.159436D+01  0.136987D+01  0.698276D-01
               246           247           248           249           250 
      1   0.136987D+01 -0.118897D+01 -0.991707D+00  0.179824D+00  0.259619D+01
      2   0.698276D-01 -0.991707D+00 -0.604063D+00  0.107224D+01  0.234149D+00
      3  -0.110967D+01  0.179824D+00  0.107224D+01 -0.118070D+01 -0.189127D+01
               251           252           253           254           255 
      1   0.234149D+00 -0.189127D+01  0.787512D+01 -0.200975D+00 -0.165213D+01
      2   0.150353D+01 -0.105748D+01 -0.200975D+00 -0.338022D+01 -0.688411D+00
      3  -0.105748D+01  0.594733D+01 -0.165213D+01 -0.688411D+00 -0.102781D+01
               256           257           258           259           260 
      1  -0.431863D+01 -0.375316D+01 -0.118925D+01 -0.591461D+01 -0.155199D+01
      2  -0.375316D+01  0.347137D+01 -0.139929D+01 -0.155199D+01 -0.247726D+01
      3  -0.118925D+01 -0.139929D+01 -0.172961D+01 -0.153124D+01 -0.138280D+01
               261           262           263           264           265 
      1  -0.153124D+01 -0.105726D+01  0.151236D+01  0.501269D+00  0.170636D+01
      2  -0.138280D+01  0.151236D+01 -0.207261D+01 -0.473131D+00 -0.290580D+01
      3   0.366912D+01  0.501269D+00 -0.473131D+00 -0.431925D+00 -0.554458D+00
               266           267           268           269           270 
      1  -0.290580D+01 -0.554458D+00 -0.264945D+00  0.569612D+00 -0.212092D+00
      2   0.918217D+01  0.173216D+01  0.569612D+00 -0.144058D+01  0.528875D+00
      3   0.173216D+01  0.160903D+01 -0.212092D+00  0.528875D+00  0.473363D+00
               271           272           273           274           275 
      1  -0.146256D+02 -0.214107D+01  0.185479D+00  0.247564D+00 -0.105510D+01
      2  -0.214107D+01 -0.150594D+01 -0.147263D+00 -0.105510D+01 -0.543998D+00
      3   0.185479D+00 -0.147263D+00 -0.107750D+01  0.109232D+00  0.216572D+00
               276           277           278           279           280 
      1   0.109232D+00  0.214431D+01  0.486718D+00 -0.114113D+01  0.102189D+00
      2   0.216572D+00  0.486718D+00  0.639016D+00 -0.279063D-01 -0.789931D+00
      3   0.227406D+00 -0.114113D+01 -0.279063D-01  0.433740D-01  0.310182D+00
               281           282           283           284           285 
      1  -0.789931D+00  0.310182D+00 -0.150226D+01 -0.817354D-01 -0.250303D-01
      2   0.222243D+01  0.213661D+00 -0.817354D-01 -0.822935D+01  0.542330D-01
      3   0.213661D+00  0.444549D+00 -0.250303D-01  0.542330D-01 -0.908680D+00
               286           287           288           289           290 
      1   0.100585D+01  0.329107D+00  0.106927D+00 -0.294578D+00  0.295720D+00
      2   0.329107D+00  0.128070D+01 -0.741018D+00  0.295720D+00  0.503312D+00
      3   0.106927D+00 -0.741018D+00 -0.648648D-01 -0.555449D+00  0.202262D+00
               291           292           293           294           295 
      1  -0.555449D+00  0.117175D+01  0.395767D+00  0.196645D+00 -0.194521D+01
      2   0.202262D+00  0.395767D+00  0.229916D+00 -0.397522D+00 -0.339136D+00
      3   0.348927D+00  0.196645D+00 -0.397522D+00  0.698388D+00 -0.737508D+00
               296           297 
      1  -0.339136D+00 -0.737508D+00
      2  -0.137770D+01 -0.297530D+00
      3  -0.297530D+00 -0.616851D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.146597D+01 -0.203707D+01  0.132102D+01 -0.680373D+01 -0.208845D+01
      2   0.260369D+01 -0.234209D+01  0.974478D+01 -0.236575D+01  0.173387D+01
      3   0.162085D+02 -0.158084D+01  0.285334D+01  0.816908D+01 -0.197583D+01
                 6             7             8             9            10 
      1  -0.198763D+01 -0.130754D+01  0.154015D+01 -0.421743D+00 -0.149407D+01
      2  -0.350630D+01 -0.407270D+01 -0.108707D+01  0.281535D+01  0.145486D+00
      3   0.241335D+01  0.137213D+02  0.188482D+00  0.262188D+01 -0.293549D+02
                11            12            13            14            15 
      1   0.149557D+00  0.157092D+01  0.192323D+01  0.387427D+01 -0.864391D+01
      2   0.823332D+00 -0.404524D+01  0.514673D+01  0.201274D-01  0.909929D+00
      3  -0.813819D+00  0.478259D+00  0.104104D+02 -0.114059D+01 -0.246513D+00
                16            17            18            19            20 
      1  -0.336787D+01 -0.120597D+01 -0.452646D+01 -0.445192D+00  0.130970D+01
      2  -0.249034D+02 -0.169833D+01 -0.295525D+01 -0.372262D+01 -0.199950D+01
      3  -0.151541D+01 -0.166779D+01 -0.105714D+01 -0.976273D+01 -0.157392D+01
                21            22            23            24            25 
      1  -0.136198D+01  0.595229D+01 -0.196438D+01 -0.346855D+01  0.472561D+01
      2   0.278754D+01 -0.425545D+01 -0.217019D+01  0.110877D+01 -0.109399D+01
      3   0.243946D+01  0.821304D+01  0.158201D+01 -0.291399D+01  0.164275D+02
                26            27            28            29            30 
      1   0.136303D+01 -0.159853D+01  0.142861D+01  0.686431D+00 -0.262430D+01
      2   0.765110D+00 -0.148910D+01  0.933624D+00  0.213033D+01 -0.361583D+01
      3  -0.773263D+00 -0.407406D+01  0.250228D+02  0.117652D+01 -0.261473D+01
                31            32            33            34            35 
      1  -0.171559D+01  0.443602D+01 -0.885196D+01 -0.479127D+01 -0.650833D+00
      2   0.523449D+01  0.352114D+00  0.244000D+01 -0.256627D+02  0.292440D+01
      3   0.767873D+01  0.494817D+01  0.882522D+00 -0.636681D+01 -0.175934D+01
                36            37            38            39            40 
      1  -0.337372D+01 -0.193498D+01 -0.420356D+00 -0.103411D+01 -0.585988D+01
      2  -0.185703D+01  0.199117D+00 -0.252365D+01  0.875975D+01 -0.361084D+01
      3   0.169488D+01 -0.129415D+02 -0.874464D+00  0.288080D+01  0.142540D+02
                41            42            43            44            45 
      1   0.153934D+01  0.104055D+01 -0.222756D+01  0.319247D+01  0.247907D+01
      2   0.149568D+01 -0.230827D+01 -0.664933D+01 -0.859025D+00  0.263794D+01
      3  -0.468322D+00  0.256396D+01 -0.929943D+01  0.314321D+01  0.177959D+01
                46            47            48            49            50 
      1   0.112970D+01  0.901906D+00  0.247426D+01  0.863473D+01  0.141173D+01
      2  -0.182756D+01 -0.196339D+01  0.348216D+01 -0.379232D+01 -0.163880D+01
      3   0.126612D+02 -0.187850D+01 -0.396116D+00  0.133159D+02  0.101518D+01
                51            52            53            54            55 
      1  -0.243744D+01  0.283863D+01  0.315094D+01  0.511172D+00 -0.127909D+01
      2   0.120524D+01 -0.176132D+01  0.145940D+01 -0.182188D+01 -0.431613D+01
      3  -0.470046D+01 -0.101205D+02 -0.115461D+01 -0.166791D+01  0.160446D+02
                56            57            58            59            60 
      1  -0.132299D+00 -0.599672D+00 -0.226251D+00 -0.501904D+01 -0.918517D+00
      2   0.150468D+00 -0.383647D+00 -0.204994D+01 -0.996869D+01  0.149438D+01
      3   0.908188D+01  0.636089D+00  0.341119D+02 -0.668073D+00  0.586015D+01
                61            62            63            64            65 
      1  -0.987712D-01  0.373349D+01  0.438796D+01  0.190699D+01  0.106255D+01
      2  -0.198503D+02  0.266036D+00  0.196437D+02  0.454991D+01  0.150714D+01
      3   0.931461D+01  0.103546D+02  0.175767D+01 -0.192649D+02 -0.187837D+02
                66            67            68            69            70 
      1  -0.149802D+01 -0.472405D+00 -0.157681D+01 -0.203408D+01  0.468111D+00
      2   0.119281D+02  0.460944D+01  0.954116D+01  0.646828D+00  0.107839D+02
      3  -0.175580D+01 -0.236179D+02  0.551201D+01 -0.803810D+01 -0.995593D+01
                71            72            73            74            75 
      1   0.454185D+01  0.397906D+01  0.220065D+01  0.199961D+01  0.435194D+01
      2   0.320403D+01 -0.311386D+02 -0.145990D+01 -0.389730D+01 -0.441243D+01
      3  -0.119538D+02 -0.247677D+01  0.241704D+02  0.334893D+01  0.592911D+00
                76            77            78            79            80 
      1   0.280152D+01  0.853972D+01  0.163561D+01  0.618796D+01  0.775856D+01
      2  -0.488091D+01 -0.100121D+02 -0.413862D+01 -0.110477D+02 -0.627539D+01
      3   0.928874D+01 -0.683964D+01  0.789487D+01  0.111365D+01  0.110829D+02
                81            82            83            84            85 
      1  -0.109006D+02 -0.400095D+00 -0.284570D+00  0.284912D+00 -0.104549D+00
      2   0.172770D+02 -0.593279D+01 -0.236092D+01 -0.142120D+02 -0.378833D+01
      3   0.277147D+01  0.938444D+01  0.175083D+02  0.290849D+01  0.343517D+02
                86            87            88            89            90 
      1   0.106147D+01 -0.220609D+01  0.530025D+00  0.969853D+00 -0.106010D+01
      2  -0.198912D+02 -0.117591D+01 -0.281197D+02 -0.152352D+01  0.254401D+02
      3  -0.129743D+02  0.205682D+02  0.459144D+01  0.206843D+02  0.195799D+01
                91            92            93            94            95 
      1   0.760243D+00  0.334559D+00  0.194813D+01  0.213829D+01 -0.144451D+01
      2  -0.358864D+01 -0.336521D+01 -0.142314D+00 -0.398155D+01 -0.321128D+01
      3  -0.128384D+01 -0.666028D-01  0.287547D+01  0.317294D+02 -0.144322D+02
                96            97            98            99           100 
      1  -0.307474D+01  0.296252D+01  0.489734D+01 -0.145581D+01 -0.103886D+01
      2  -0.659926D+01 -0.152617D+02 -0.667944D+01  0.148705D+02  0.133313D+01
      3  -0.642448D+00  0.226596D+01  0.443782D+01  0.503706D+01  0.112765D+02
               101           102           103           104           105 
      1  -0.518992D+01 -0.501423D+01 -0.418544D+00 -0.341217D+00  0.198825D+01
      2   0.328970D+01  0.439051D+01  0.225013D+01  0.152297D+01  0.134807D+02
      3  -0.122839D+02 -0.465298D+01 -0.639552D+01  0.189084D+01  0.246597D+01
               106           107           108           109           110 
      1  -0.665057D+01  0.152052D+00 -0.361652D+01  0.404035D+01  0.286786D+01
      2  -0.409795D+01  0.993128D+01 -0.172313D+02  0.937359D+01 -0.253374D+01
      3  -0.104097D+02  0.126427D+02 -0.642076D+01 -0.422809D+00 -0.511829D+01
               111           112           113           114           115 
      1   0.390267D+01 -0.312794D+00  0.227159D+00 -0.632682D+01  0.386267D+01
      2   0.920662D+01 -0.757123D+00  0.752044D+01 -0.105809D+02  0.459346D+01
      3   0.564906D+00 -0.433909D+01  0.119409D+02 -0.778748D+01  0.111697D+02
               116           117           118           119           120 
      1   0.518426D+01  0.111767D+02 -0.339664D+01  0.264459D+01  0.152630D+00
      2  -0.637749D+01  0.306476D+02 -0.535814D+01 -0.907748D+00  0.446661D-01
      3  -0.187877D+02  0.569400D+01 -0.121248D+01  0.672154D+01  0.397408D+01
               121           122           123           124           125 
      1   0.109658D+01 -0.532303D+01 -0.289597D+01 -0.205848D+01  0.714570D+01
      2  -0.232899D+01 -0.465563D+01 -0.227999D+01 -0.172736D+01 -0.735552D+01
      3   0.793896D+01 -0.142268D+02  0.309861D+01 -0.185281D+01  0.922180D+01
               126           127           128           129           130 
      1  -0.683457D+01 -0.172269D+01 -0.197715D+01  0.895727D+00 -0.183451D+00
      2  -0.150518D+02  0.425359D+01  0.889900D+00 -0.992534D+00  0.525060D+00
      3   0.818377D+01 -0.213622D+00 -0.907481D+00  0.773222D+00  0.820364D+00
               131           132           133           134           135 
      1  -0.131171D+01 -0.204282D+00  0.262489D+01  0.525411D+01 -0.452384D+01
      2  -0.835927D-01  0.693960D+00 -0.467331D+01 -0.383429D+00 -0.169571D+01
      3  -0.413022D+00  0.304846D+00  0.757507D+00  0.210717D+01 -0.152643D+01
               136           137           138           139           140 
      1  -0.204819D+01  0.299187D+01 -0.669000D+00  0.999665D+00 -0.114954D+01
      2  -0.782157D+01  0.153089D+01 -0.894605D+00  0.166911D+01 -0.541293D+00
      3   0.438855D+00 -0.155619D+01  0.676252D+00  0.448185D+00  0.115540D+01
               141           142           143           144           145 
      1  -0.590789D+00 -0.196932D+01  0.398783D+01 -0.250437D+01  0.165149D+01
      2  -0.131548D-01 -0.428486D+01  0.550724D+00  0.104899D+01  0.409939D+01
      3  -0.329645D+00  0.614451D+00 -0.250587D+01  0.162512D+01  0.264549D+01
               146           147           148           149           150 
      1  -0.101734D+01 -0.222696D+01  0.996717D+00 -0.103150D+00 -0.346238D+01
      2   0.450398D+00 -0.952689D+00  0.580630D+00 -0.166813D+00  0.542733D+00
      3  -0.547371D-01 -0.196528D+01  0.152398D+01 -0.367918D+00 -0.525106D+00
               151           152           153           154           155 
      1  -0.155250D+01  0.237866D+01  0.527874D+01  0.227438D+01  0.139317D+01
      2  -0.436192D+01 -0.276638D+00 -0.116173D+01 -0.528272D+01  0.274122D+00
      3  -0.232749D+01  0.892409D+00  0.171723D+01 -0.489746D+01 -0.818428D+00
               156           157           158           159           160 
      1   0.218084D+01 -0.138750D+01  0.115447D+00 -0.358576D+01  0.222783D+01
      2  -0.317599D+00  0.116095D+01  0.148202D+00 -0.850797D+00 -0.294417D+01
      3  -0.217245D+01  0.367353D+01  0.651340D+00  0.933325D+00 -0.290248D+01
               161           162           163           164           165 
      1   0.156528D+01  0.394333D+01 -0.133803D+01 -0.635942D+00  0.109240D+01
      2  -0.177394D+00  0.200371D+01 -0.485919D+01  0.642681D+00  0.515148D+01
      3  -0.130627D+01 -0.173250D+01 -0.176511D+01 -0.343337D+01  0.582136D+00
               166           167           168           169           170 
      1  -0.332323D-03 -0.387303D+00 -0.851261D+00  0.214720D+01  0.221749D+01
      2   0.605393D+00 -0.114536D+01  0.628295D+00  0.202829D+01 -0.372942D+01
      3  -0.324948D+01  0.101710D+00  0.170348D+01  0.305586D+01  0.412108D+01
               171           172           173           174           175 
      1  -0.611080D+01  0.974977D+00 -0.949851D+00  0.135083D+01 -0.150718D+01
      2  -0.201135D+02  0.472829D+01 -0.133678D+01  0.310449D+01 -0.240367D+01
      3   0.299417D+00  0.111777D+01 -0.677816D+01 -0.305105D+00 -0.358946D+01
               176           177           178           179           180 
      1   0.339030D+01 -0.331108D+01  0.142253D+01 -0.110650D+01  0.105099D+01
      2   0.539066D+01 -0.362302D+01  0.329595D+01 -0.381633D+01  0.813021D+00
      3   0.176897D+02 -0.194181D+01 -0.340606D+01 -0.635927D+01  0.181519D+01
               181           182           183           184           185 
      1  -0.221546D+01 -0.139690D+01  0.762837D+00 -0.942198D+00 -0.372891D+00
      2   0.754230D+01  0.588561D+00 -0.442677D+01  0.192029D+01  0.356655D+01
      3   0.241735D+01  0.250353D+01  0.432450D+00  0.511920D+01 -0.595124D+00
               186           187           188           189           190 
      1  -0.497610D+00  0.139888D+01  0.338182D+01 -0.376127D+01  0.324825D+00
      2  -0.913710D+00 -0.795835D+01 -0.945599D+00  0.289347D+02 -0.141427D+01
      3  -0.272384D+01  0.154541D-01 -0.379609D+01 -0.212367D+00 -0.252448D+02
               191           192           193           194           195 
      1   0.588709D+00  0.228883D+01  0.271510D+00 -0.751291D+00 -0.112674D+01
      2   0.354283D+00 -0.424549D+00  0.282278D+00  0.740700D+00  0.287913D+00
      3   0.651017D+01  0.723471D+00  0.681788D+01 -0.390009D+01 -0.118087D+01
               196           197           198           199           200 
      1   0.222261D+01  0.542965D+00  0.567255D+00  0.206779D+01 -0.933017D-01
      2  -0.341289D+01  0.107543D+01 -0.917185D+00 -0.310270D+01 -0.109090D+01
      3   0.105227D+01 -0.227006D+01 -0.269958D+01 -0.216981D+01 -0.334304D+01
               201           202           203           204           205 
      1  -0.268679D+01  0.230296D+00  0.115784D+01 -0.221883D+01 -0.269710D+01
      2   0.471194D+01 -0.337457D+00 -0.204921D+01  0.148211D+01  0.694527D+00
      3  -0.325693D+00 -0.453433D+00 -0.136785D+01  0.204226D+01 -0.214677D+01
               206           207           208           209           210 
      1  -0.103972D+00  0.144345D+02 -0.261735D+01 -0.207056D+01 -0.374089D+01
      2   0.597644D+01 -0.219544D+02  0.343736D+01  0.298788D+01  0.464895D+01
      3   0.705580D+01 -0.495834D+01 -0.427038D+01 -0.898641D+01 -0.650460D+00
               211           212           213           214           215 
      1  -0.318322D+01 -0.531000D+01 -0.566192D+01 -0.330515D+01 -0.314277D+01
      2   0.302119D+01  0.721020D+01  0.581129D+01  0.341542D+01  0.646807D+01
      3  -0.324807D+01 -0.181085D+02 -0.479604D+01 -0.623131D+00 -0.998679D+01
               216           217           218           219           220 
      1  -0.345995D+01  0.266726D+00 -0.387360D+00 -0.651962D-01  0.122831D+00
      2   0.428474D+01 -0.895456D+01  0.245641D+00  0.105155D+02 -0.511522D-01
      3  -0.417796D+01 -0.649438D+00 -0.422538D+01 -0.334738D+00 -0.446451D+01
               221           222           223           224           225 
      1   0.289512D-01 -0.842976D+00 -0.577669D+00  0.248797D+01  0.911177D+00
      2  -0.234684D+01  0.674434D+00  0.151828D+02 -0.122480D+00 -0.349632D+02
      3   0.876084D+00  0.204301D+01 -0.764109D+00  0.634881D+01 -0.122710D+00
               226           227           228           229           230 
      1  -0.676955D+00  0.664569D+00  0.411444D+00  0.790464D+00 -0.238283D+01
      2   0.421224D+01 -0.231387D+01  0.507733D+01 -0.381256D+01  0.100492D+02
      3   0.896640D+01 -0.105926D+02  0.278689D+01 -0.143715D+02  0.324325D+02
               231           232           233           234           235 
      1  -0.160990D+01 -0.248450D+00  0.176230D+01  0.185957D+00  0.273341D+00
      2  -0.946004D+01  0.629747D+01 -0.681399D+01  0.549033D+01  0.793145D+01
      3  -0.104690D+02  0.420216D+01 -0.122612D+02  0.661793D+01 -0.120203D+02
               236           237           238           239           240 
      1   0.787213D+00 -0.890011D+00  0.307968D+00  0.119409D+01 -0.153134D+01
      2   0.423239D+01  0.918019D+01  0.647748D+01  0.890328D+01  0.968327D+01
      3  -0.126072D+02 -0.479640D+01 -0.157128D+02 -0.195314D+02 -0.955163D+01
               241           242           243           244           245 
      1  -0.552703D+00  0.149388D+01 -0.660592D+00  0.345382D+00 -0.366575D+00
      2   0.106264D+02  0.685094D+01  0.846930D+01 -0.578416D+01  0.856134D-01
      3  -0.668205D+01 -0.117014D+02 -0.689568D+01 -0.274141D+01 -0.182566D+01
               246           247           248           249           250 
      1  -0.825552D+00 -0.111990D+00  0.999296D-01 -0.922038D+00 -0.122043D+01
      2   0.366675D+01  0.312500D+00 -0.265328D+01  0.409044D+01  0.119207D+01
      3  -0.534415D+00 -0.881384D+00 -0.122190D+01  0.286377D+01 -0.114560D+01
               251           252           253           254           255 
      1   0.266681D+01  0.323911D+01 -0.212434D+01  0.997841D+00 -0.227957D+01
      2   0.356597D+01 -0.186677D+02  0.139213D+02  0.354508D+01  0.631790D+01
      3   0.404728D+01 -0.215946D+01 -0.149706D+02 -0.154316D+02  0.499481D-01
               256           257           258           259           260 
      1  -0.142815D+01 -0.597106D+01 -0.374653D+01 -0.911632D+00  0.108508D+01
      2   0.485500D+01  0.497726D+01  0.600866D+01  0.457453D+01  0.516764D+01
      3  -0.775659D+01  0.198434D+02 -0.396803D+01  0.669449D+00 -0.657034D+01
               261           262           263           264           265 
      1   0.878121D+01  0.987202D+00 -0.159229D+01  0.600064D+00 -0.272379D+01
      2  -0.179286D+02 -0.634997D+00  0.285005D+00  0.121474D+01  0.506123D-02
      3  -0.441853D+01  0.320460D+01 -0.499197D+01 -0.178344D+01 -0.478121D+01
               266           267           268           269           270 
      1   0.882627D+01 -0.197711D+01  0.467686D+00 -0.119839D+01  0.916025D+00
      2  -0.325918D+01 -0.515777D+01  0.308963D+00 -0.174196D+01 -0.106436D+01
      3   0.281241D+02  0.533117D+01  0.149340D+01 -0.497294D+01  0.159437D+01
               271           272           273           274           275 
      1   0.111450D+01  0.580413D+00 -0.232777D+01  0.841068D+00  0.664143D+00
      2  -0.757028D+01 -0.242534D+00  0.781465D+01 -0.906060D+00 -0.139235D+01
      3   0.141547D+02 -0.598030D+01 -0.109519D+01 -0.322886D+01 -0.668421D+00
               276           277           278           279           280 
      1  -0.181337D+00 -0.199747D+01  0.603141D+00 -0.944046D-01  0.137640D+01
      2  -0.536501D+00  0.427795D+01 -0.140419D+00 -0.295280D+00 -0.105776D+01
      3   0.833041D+00 -0.128681D+01  0.192960D+01  0.174442D+01 -0.506048D+01
               281           282           283           284           285 
      1  -0.805661D+00  0.171593D+01 -0.429663D+00  0.498314D+01 -0.411107D+01
      2  -0.964791D+00 -0.136760D+01 -0.808356D+00 -0.431342D-01  0.308436D+01
      3   0.866536D+01 -0.198698D+00  0.550288D+01 -0.303577D+02  0.702688D+00
               286           287           288           289           290 
      1   0.750765D+00 -0.106939D+01  0.533749D+00 -0.185759D+01 -0.603380D+00
      2  -0.168415D+01  0.248859D+01  0.354196D+00  0.441982D+01  0.422213D-01
      3  -0.116671D+01  0.416064D+01 -0.286754D+01  0.140956D+01  0.101461D+01
               291           292           293           294           295 
      1   0.538668D+00 -0.292231D+00 -0.226581D+01  0.978321D+00 -0.180136D+00
      2  -0.192420D+01  0.147474D+01  0.205657D+01 -0.312905D+01 -0.201862D+01
      3   0.114107D+01  0.103664D+01  0.617141D+00 -0.169335D+01  0.150696D+01
               296           297 
      1   0.339658D+01 -0.112605D+02
      2   0.186553D+00  0.245784D+02
      3  -0.459182D+01  0.555757D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.237450D+01 -0.886002D+01  0.220636D+02  0.159894D+02 -0.366135D+01
      2   0.657956D+01  0.388184D+01 -0.795797D+01 -0.376792D+01  0.426898D+01
      3  -0.420506D+01  0.497818D+01 -0.141056D+02 -0.122214D+02 -0.607636D+00
      4  -0.161292D+01  0.217672D+01  0.169680D+00  0.810831D+01  0.451088D+01
      5   0.198000D+02  0.945919D+00 -0.715503D+01 -0.527937D+01 -0.284762D+01
      6  -0.220456D+00 -0.243693D+01  0.113116D+01 -0.827988D+00  0.399867D+01
                 6             7             8             9            10 
      1  -0.171632D+02 -0.229230D+02 -0.958139D+01  0.560045D+01  0.499259D+02
      2   0.135586D+01  0.363393D+01  0.189533D+01  0.332962D+01 -0.191996D+02
      3   0.158073D+02  0.192891D+02  0.768606D+01 -0.893007D+01 -0.307263D+02
      4  -0.427210D+01  0.347745D+01 -0.186098D+01 -0.495888D+01 -0.116005D+02
      5  -0.427877D+01  0.944437D+01 -0.450630D+01  0.575082D+01 -0.512331D+01
      6   0.122201D+02 -0.741234D+01  0.443679D+01  0.143637D+02  0.257414D+01
                11            12            13            14            15 
      1   0.694334D+01 -0.114331D+01  0.992693D+01 -0.655481D+00  0.713391D+01
      2  -0.560742D+01  0.290201D+01 -0.986557D+01  0.696776D+01 -0.823130D+00
      3  -0.133592D+01 -0.175870D+01 -0.613633D-01 -0.631228D+01 -0.631078D+01
      4   0.177957D+01 -0.325305D+01  0.176114D+02 -0.540933D+01 -0.119829D+01
      5  -0.382160D+01  0.671471D+01  0.111488D+02 -0.107816D+01 -0.181710D+01
      6   0.482602D+00 -0.587930D+01 -0.531618D+01  0.420129D+01  0.797646D+01
                16            17            18            19            20 
      1  -0.947077D+01  0.726086D+01 -0.201192D+02 -0.121605D+01  0.606421D+01
      2  -0.105088D+01  0.380307D+01  0.282213D+01 -0.193415D+01 -0.256144D+01
      3   0.105217D+02 -0.110639D+02  0.172971D+02  0.315020D+01 -0.350277D+01
      4   0.145830D+02  0.971657D+00 -0.199800D+01  0.362641D+01 -0.311396D+00
      5  -0.151870D+02 -0.174143D+01 -0.387303D+01 -0.171449D+02  0.230936D+01
      6  -0.401557D+01  0.228370D+01 -0.496120D+01  0.280527D+01  0.407330D+01
                21            22            23            24            25 
      1  -0.264536D+02 -0.944478D+01 -0.491121D+01 -0.625126D+01  0.237259D+02
      2   0.705254D+01 -0.197474D+01  0.642023D+01 -0.864346D-01 -0.126017D+01
      3   0.194010D+02  0.114195D+02 -0.150902D+01  0.633770D+01 -0.224657D+02
      4   0.201666D+01  0.363899D+01 -0.178729D+01  0.418318D+01  0.417505D+01
      5  -0.190870D+01  0.803541D+00  0.259320D+01  0.671595D+01  0.121890D+02
      6   0.407763D+01  0.311757D+01  0.230277D+01  0.735099D+01  0.102550D+02
                26            27            28            29            30 
      1  -0.869366D+01  0.921512D+01  0.162227D+02 -0.437377D+00  0.102918D+01
      2   0.205800D+01 -0.275476D+01 -0.327997D+01  0.455549D+01  0.797177D+00
      3   0.663566D+01 -0.646036D+01 -0.129427D+02 -0.411811D+01 -0.182636D+01
      4   0.301954D+01  0.716312D+01  0.236059D+02  0.196905D+01 -0.182816D+01
      5   0.518908D+01 -0.452935D+01  0.232514D+01 -0.119418D+01  0.706453D+01
      6   0.151804D+01  0.101944D+02  0.383191D+01 -0.119690D+01  0.405872D+01
                31            32            33            34            35 
      1  -0.833631D+00 -0.948312D+00  0.865906D+01 -0.958928D+01  0.103644D+02
      2   0.708732D+01  0.494345D+01 -0.235878D+01  0.221281D+01  0.190340D+01
      3  -0.625369D+01 -0.399514D+01 -0.630027D+01  0.737646D+01 -0.122678D+02
      4   0.165497D+02  0.520970D+00  0.193407D+01  0.116890D+02  0.507681D+01
      5   0.123747D+02  0.479891D+00  0.947784D+00 -0.179887D+02  0.230484D+01
      6  -0.108989D+01  0.375716D+01  0.588127D+01 -0.165123D+01  0.237351D+01
                36            37            38            39            40 
      1  -0.228646D+02  0.101254D+02 -0.121495D+02  0.244900D+02  0.331915D+01
      2   0.411441D+01 -0.132826D+00  0.951822D+01 -0.119768D+02  0.484220D+01
      3   0.187502D+02 -0.999258D+01  0.263129D+01 -0.125132D+02 -0.816136D+01
      4   0.164870D+00 -0.947958D+01 -0.108160D+01  0.428151D+01  0.144054D+02
      5  -0.228478D+01  0.137820D+02  0.221399D+01 -0.892648D+01 -0.279726D+01
      6  -0.687879D+01 -0.236644D+00 -0.504662D+01  0.584425D+01 -0.771976D+00
                41            42            43            44            45 
      1  -0.109325D+02 -0.758765D+01 -0.179473D+02 -0.537867D+01  0.943136D+01
      2   0.157857D+02 -0.101947D+02  0.198549D+01 -0.222962D+01 -0.149458D+01
      3  -0.485326D+01  0.177824D+02  0.159618D+02  0.760829D+01 -0.793678D+01
      4   0.688623D+01 -0.347486D+01 -0.367164D+01 -0.204180D+01 -0.601204D+01
      5  -0.212290D+01 -0.271733D+01  0.758383D+01 -0.572096D+01  0.775449D+01
      6  -0.638154D+01  0.643519D+01 -0.936160D+01  0.257631D+00  0.842054D+01
                46            47            48            49            50 
      1  -0.935436D+01  0.911969D+01 -0.259079D+02 -0.590398D+01 -0.153040D+02
      2   0.296440D+01 -0.674928D+01  0.823602D+01 -0.601418D+01  0.213220D+02
      3   0.638996D+01 -0.237040D+01  0.176719D+02  0.119182D+02 -0.601808D+01
      4   0.915207D+01  0.399706D+00  0.391634D+01  0.562104D+01 -0.681011D+01
      5  -0.142130D+02  0.463879D+01 -0.318318D+01  0.535175D+01  0.260630D+01
      6   0.334354D+01  0.439528D+01 -0.486523D+01  0.654346D-01 -0.561771D+01
                51            52            53            54            55 
      1   0.219102D+01  0.356518D+02 -0.492291D+01  0.983307D+01 -0.379922D+02
      2  -0.102843D+02 -0.886852D+01  0.161317D+00 -0.509975D+01  0.128745D+02
      3   0.809324D+01 -0.267832D+02  0.476159D+01 -0.473332D+01  0.251176D+02
      4   0.173679D+01 -0.438268D+01 -0.753481D+00  0.707800D+01  0.688063D+00
      5   0.663624D+01  0.470725D+01  0.639810D+01 -0.638314D+01 -0.383296D+01
      6   0.410142D+01  0.107818D+02 -0.272757D+01  0.755498D+01  0.182362D+01
                56            57            58            59            60 
      1  -0.104008D+02 -0.421318D+01 -0.366633D+02 -0.282219D+02 -0.430548D+01
      2   0.755688D+01 -0.106629D+01  0.259713D+02  0.318979D+01  0.458598D+01
      3   0.284394D+01  0.527947D+01  0.106920D+02  0.250322D+02 -0.280500D+00
      4  -0.227640D+02 -0.246282D+00 -0.483057D+02  0.254224D+02 -0.116723D+02
      5  -0.657161D+00 -0.958024D+01 -0.408340D+01 -0.119330D+02  0.120276D+01
      6   0.500968D+00  0.157905D+01 -0.355295D+00  0.396409D+01 -0.539740D-01
                61            62            63            64            65 
      1  -0.281920D+02 -0.731294D+01 -0.652517D+01 -0.453224D+02  0.153352D+02
      2   0.472960D+01  0.705752D+01  0.115724D+02  0.292633D+02 -0.353964D+01
      3   0.234624D+02  0.255428D+00 -0.504719D+01  0.160592D+02 -0.117955D+02
      4  -0.464012D+01 -0.195701D+02  0.641448D+01  0.159831D+02  0.265179D+02
      5  -0.229381D+02  0.382952D+01  0.373244D+02 -0.119814D+00  0.306712D+01
      6   0.353327D+01 -0.160253D+01 -0.641956D+01  0.810557D+00 -0.212214D+01
                66            67            68            69            70 
      1  -0.144894D+01  0.509213D+02  0.456809D+02 -0.152185D+00  0.194957D+02
      2  -0.204422D+01 -0.219193D+02 -0.249856D+02  0.183455D+01 -0.771394D+01
      3   0.349316D+01 -0.290020D+02 -0.206953D+02 -0.168236D+01 -0.117818D+02
      4   0.256331D+01  0.426025D+02 -0.130418D+02  0.146318D+02  0.618424D+01
      5   0.166243D+02  0.694301D+01  0.167235D+02  0.263480D+01  0.309257D+02
      6   0.261014D+01  0.241527D+01  0.422855D+01 -0.337109D+00  0.251466D+01
                71            72            73            74            75 
      1   0.194609D+01  0.314854D+02  0.495783D+02 -0.590134D+01 -0.780983D+01
      2   0.306953D+01 -0.762327D+01 -0.342440D+02 -0.761855D+01  0.341145D-01
      3  -0.501563D+01 -0.238622D+02 -0.153343D+02  0.135199D+02  0.777572D+01
      4   0.186641D+02  0.470000D+01 -0.262233D+01 -0.288250D+02 -0.783297D+01
      5   0.398305D+01 -0.520047D+02 -0.764554D+01 -0.555038D+01 -0.118792D+02
      6   0.355921D+01 -0.604367D+01 -0.675319D+01 -0.251359D+01 -0.844567D+01
                76            77            78            79            80 
      1  -0.118993D+02 -0.304080D+02  0.290537D+01 -0.120369D+02  0.220035D+01
      2  -0.556069D+01  0.124914D+02 -0.112800D+02 -0.122961D+01 -0.145542D+02
      3   0.174600D+02  0.179166D+02  0.837463D+01  0.132665D+02  0.123538D+02
      4  -0.333675D+02 -0.116414D+02 -0.198517D+02 -0.898774D+01 -0.284441D+02
      5  -0.618238D+01 -0.194676D+02 -0.837288D+01 -0.192014D+02 -0.136664D+02
      6  -0.507858D+01 -0.158270D+02 -0.400336D+01 -0.102655D+02 -0.805353D+01
                81            82            83            84            85 
      1  -0.816263D+01  0.589629D+02 -0.182962D+02 -0.528969D+01 -0.300766D+02
      2   0.791584D+01 -0.317806D+02  0.861477D+01  0.110264D+01  0.145122D+02
      3   0.246787D+00 -0.271823D+02  0.968143D+01  0.418705D+01  0.155645D+02
      4  -0.183209D+02 -0.210005D+02 -0.372094D+02 -0.604878D+01 -0.563238D+02
      5   0.380385D+02 -0.845994D+01 -0.651711D+01 -0.310530D+02 -0.102078D+02
      6   0.188340D+02 -0.160648D+01 -0.451138D+01 -0.204979D+01 -0.859534D+01
                86            87            88            89            90 
      1  -0.495879D+02 -0.645179D+01 -0.147502D+02 -0.626420D+01 -0.411790D+02
      2   0.240145D+02  0.248451D+01  0.346174D+01  0.225056D+01  0.229072D+02
      3   0.255734D+02  0.396728D+01  0.112884D+02  0.401364D+01  0.182718D+02
      4   0.219496D+02 -0.394178D+02 -0.971707D+01 -0.387786D+02 -0.491303D+01
      5  -0.422387D+02 -0.409687D+01 -0.489373D+02 -0.393660D+01  0.479086D+02
      6   0.432896D+00 -0.454819D+01 -0.322472D+01 -0.484481D+01  0.131352D+01
                91            92            93            94            95 
      1   0.128372D+02 -0.425697D+01 -0.121782D+01 -0.887252D+01 -0.175986D+02
      2  -0.919718D+01 -0.204183D+01 -0.116704D+01  0.376919D+01  0.752583D+01
      3  -0.364004D+01  0.629880D+01  0.238487D+01  0.510333D+01  0.100727D+02
      4  -0.193817D+02 -0.143733D+02 -0.722825D+01 -0.397863D+02  0.135831D+02
      5  -0.592645D+01 -0.651705D+01 -0.822482D+01 -0.128633D+02 -0.269709D+01
      6  -0.408690D+01 -0.214210D+01 -0.415648D+01 -0.247632D+01 -0.473341D+01
                96            97            98            99           100 
      1  -0.671759D+01 -0.148078D+02 -0.835924D+01 -0.144416D+01 -0.729174D+01
      2   0.488321D+00 -0.467239D+00 -0.123386D+01  0.718590D+01  0.173392D+01
      3   0.622927D+01  0.152750D+02  0.959309D+01 -0.574174D+01  0.555782D+01
      4  -0.238678D+01 -0.180846D+02 -0.135661D+02 -0.157954D+02  0.139291D+02
      5  -0.130077D+02 -0.144700D+02 -0.146676D+02  0.298931D+02 -0.170819D+02
      6  -0.258548D+01 -0.762685D+01 -0.293216D+01  0.856151D+01  0.515367D+01
               101           102           103           104           105 
      1   0.610933D+01 -0.855955D+01  0.192184D+02  0.415673D+01  0.958817D+01
      2  -0.300764D+00  0.609516D+01 -0.137512D+02  0.110071D+01 -0.318020D+01
      3  -0.580857D+01  0.246439D+01 -0.546717D+01 -0.525744D+01 -0.640797D+01
      4  -0.280186D+01  0.692403D+01 -0.178141D+01 -0.138642D+02 -0.265791D+01
      5   0.612138D+01 -0.403872D+01  0.756286D+01 -0.250009D+01  0.252641D+02
      6  -0.530641D+01  0.613043D+01 -0.106409D+01 -0.210356D+01 -0.153472D+02
               106           107           108           109           110 
      1  -0.242866D+02  0.103957D+02 -0.553565D+01  0.445441D+02 -0.127802D+02
      2   0.911501D+01  0.242891D+01  0.385296D+01 -0.213702D+02  0.385205D+01
      3   0.151716D+02 -0.128246D+02  0.168269D+01 -0.231739D+02  0.892815D+01
      4   0.201133D+02 -0.188652D+02  0.208722D+02 -0.243966D+02  0.206254D+02
      5  -0.206189D+02  0.188264D+02 -0.246205D+02  0.315556D+02 -0.609601D+01
      6   0.112183D+02 -0.177164D+02  0.613413D+01 -0.109817D+02  0.399209D+01
               111           112           113           114           115 
      1   0.245066D+02 -0.158956D+02  0.366323D+01 -0.173567D+01  0.410053D+02
      2  -0.146435D+02  0.286689D+01  0.779611D+01 -0.113913D+01 -0.200860D+02
      3  -0.986312D+01  0.130287D+02 -0.114593D+02  0.287480D+01 -0.209193D+02
      4  -0.100966D+02  0.252875D+02 -0.233821D+02  0.177854D+02 -0.248719D+02
      5   0.231888D+02 -0.119494D+02  0.171997D+02 -0.199548D+02  0.362474D+02
      6  -0.768712D+01  0.587335D+01 -0.112872D+02  0.177132D+02 -0.111034D+02
               116           117           118           119           120 
      1  -0.417144D+01  0.109573D+02  0.419361D+00 -0.924073D+01 -0.124815D+02
      2  -0.412400D+01 -0.155195D+02 -0.358203D+01  0.121201D+02  0.784308D+01
      3   0.829544D+01  0.456217D+01  0.316267D+01 -0.287937D+01  0.463839D+01
      4   0.330708D+02 -0.184371D+02  0.151219D+01 -0.735709D+01  0.320463D+01
      5  -0.169102D+02  0.600168D+02 -0.792548D+01 -0.128513D+01  0.575948D+01
      6   0.162555D+02 -0.274129D+02  0.341258D+01  0.522948D+01  0.127853D+01
               121           122           123           124           125 
      1  -0.446306D+01 -0.650713D+01 -0.569218D+01 -0.134660D+02 -0.772387D+01
      2   0.128889D+02 -0.146756D+02  0.214916D+01  0.715636D+01  0.801704D+01
      3  -0.842586D+01  0.211827D+02  0.354302D+01  0.630967D+01 -0.293166D+00
      4  -0.101895D+02  0.413705D+02 -0.333231D+01  0.130765D+02 -0.180667D+02
      5   0.175678D+01 -0.270372D+01 -0.530832D+01  0.171554D+02 -0.171982D+02
      6   0.274418D+01  0.208867D+01  0.107302D+02 -0.630905D+01  0.201701D+02
               126           127           128           129           130 
      1  -0.918949D+01 -0.879368D+00 -0.830079D-01  0.355903D+01 -0.256808D+01
      2  -0.658238D+01 -0.511342D+01 -0.120195D+01  0.545348D+01 -0.618879D+00
      3   0.157719D+02  0.599279D+01  0.128496D+01 -0.901251D+01  0.318696D+01
      4  -0.152168D+02  0.108734D+01  0.234629D+01 -0.775696D+00  0.136631D+01
      5  -0.332263D+02 -0.903902D+01 -0.250776D+01  0.117559D+02 -0.277688D+01
      6   0.222569D+02  0.167677D+00 -0.172468D+01 -0.451994D+00 -0.115661D+01
               131           132           133           134           135 
      1  -0.332963D+01  0.783417D+01  0.350134D+01  0.480921D+01 -0.237162D+02
      2  -0.455435D+00  0.309531D+01  0.654330D+01  0.196123D+01 -0.142188D+02
      3   0.378507D+01 -0.109295D+02 -0.100446D+02 -0.677044D+01  0.379350D+02
      4   0.110213D+01 -0.128483D+01 -0.176421D+01 -0.315800D+01  0.203749D+01
      5  -0.262044D+01  0.434709D+01  0.116601D+02  0.398675D+01 -0.185576D+02
      6  -0.306572D+01  0.216374D+01  0.986246D+00  0.569210D+01 -0.270288D+01
               136           137           138           139           140 
      1   0.426228D+01 -0.547747D-01 -0.180899D+01  0.129271D+00 -0.166954D+01
      2  -0.571443D+01  0.948844D+00 -0.422511D+01  0.220238D+01 -0.409616D+00
      3   0.145215D+01 -0.894069D+00  0.603410D+01 -0.233165D+01  0.207916D+01
      4  -0.235097D+01  0.398028D+01 -0.113290D+01  0.274193D+01 -0.287249D+01
      5   0.111140D+02 -0.288487D+01  0.990005D+01 -0.455958D+01  0.320075D+01
      6  -0.231419D+00  0.183721D+01 -0.868637D+00  0.710799D+00 -0.280964D+01
               141           142           143           144           145 
      1   0.498300D+01 -0.293797D+01  0.382317D+01 -0.122560D+02 -0.266218D+01
      2   0.220662D+01 -0.540474D+01  0.103671D+01 -0.836310D+01 -0.279839D+01
      3  -0.718962D+01  0.834271D+01 -0.485989D+01  0.206191D+02  0.546058D+01
      4   0.127662D+01 -0.206007D+01  0.331341D+01 -0.252403D+01  0.527752D+01
      5  -0.580586D+01  0.123282D+02 -0.437599D+01  0.158124D+02 -0.916426D+01
      6   0.211029D+01 -0.190880D+01  0.488477D+01 -0.341644D+01 -0.560810D+01
               146           147           148           149           150 
      1  -0.178783D+01  0.557841D+01 -0.270141D+01 -0.474823D+01  0.882133D+01
      2   0.340799D+00  0.304865D+01 -0.436992D+00  0.120540D+01  0.584421D+00
      3   0.144703D+01 -0.862706D+01  0.313841D+01  0.354283D+01 -0.940575D+01
      4   0.365504D+01 -0.530290D+01  0.235857D+01  0.186236D+01 -0.276891D+01
      5  -0.346640D+01  0.119589D+02 -0.322264D+01 -0.268906D+01  0.420144D+01
      6  -0.354698D+01  0.619551D+01 -0.288427D+01 -0.539004D+01  0.858685D+01
               151           152           153           154           155 
      1   0.729588D+01  0.107448D+02 -0.291882D+02  0.266987D+01  0.255799D+01
      2   0.230652D+01 -0.298857D+01 -0.601234D+01 -0.327849D+01 -0.236888D+01
      3  -0.960240D+01 -0.775620D+01  0.352005D+02  0.608622D+00 -0.189105D+00
      4  -0.581464D+01 -0.513498D+01  0.791642D+01 -0.105048D+02  0.742343D+01
      5   0.111220D+02  0.530314D+01 -0.178936D+02  0.151779D+02 -0.593068D+01
      6   0.817883D+01  0.126794D+02 -0.230230D+02 -0.867484D+01  0.587518D+01
               156           157           158           159           160 
      1  -0.218354D+01  0.576074D+00 -0.374555D+01  0.542625D+01 -0.387271D+01
      2  -0.227965D+01  0.893184D+00  0.204822D+01  0.219151D-01 -0.257614D+01
      3   0.446318D+01 -0.146926D+01  0.169733D+01 -0.544816D+01  0.644885D+01
      4  -0.820051D+01  0.511307D+01 -0.528597D+01  0.567910D+01 -0.865433D+01
      5   0.138167D+02 -0.696681D+01  0.488890D+01 -0.806673D+01  0.149814D+02
      6  -0.863489D+01  0.524684D+01 -0.608132D+01  0.842927D+01 -0.100748D+02
               161           162           163           164           165 
      1   0.812156D+01 -0.153344D+02  0.758044D+01  0.528361D+00 -0.699015D+01
      2  -0.378174D+01 -0.281444D+01 -0.761083D+01 -0.739243D+00  0.618541D+01
      3  -0.433982D+01  0.181489D+02  0.303889D-01  0.210883D+00  0.804746D+00
      4   0.726567D+01 -0.104349D+02 -0.165966D+01  0.682354D+01  0.389532D+01
      5  -0.753145D+01  0.198984D+02 -0.130446D+02  0.252703D+01  0.143208D+02
      6   0.115267D+02 -0.179532D+02  0.211131D+01 -0.131449D+01 -0.214725D+01
               166           167           168           169           170 
      1   0.814913D+01  0.196675D+01 -0.154475D+01 -0.147315D+02 -0.308332D+01
      2  -0.507956D+01 -0.744909D+00  0.130479D+01  0.133174D+02  0.589792D+00
      3  -0.306957D+01 -0.122184D+01  0.239954D+00  0.141407D+01  0.249353D+01
      4   0.734602D+01 -0.338532D+01 -0.420702D+01  0.559839D+01 -0.855527D+01
      5  -0.605825D+00 -0.450923D+01  0.114011D+01  0.216941D+02 -0.784315D+01
      6  -0.145362D+01  0.128331D+01  0.495181D+01 -0.493053D+01  0.637430D+01
               171           172           173           174           175 
      1  -0.552044D+01  0.204056D+02 -0.828504D+01  0.379805D+01 -0.148537D+02
      2  -0.134811D+02 -0.393303D+01 -0.780150D+00 -0.873292D+00 -0.229864D+01
      3   0.190016D+02 -0.164726D+02  0.906519D+01 -0.292476D+01  0.171524D+02
      4  -0.105726D+02 -0.207066D+02  0.228213D+02 -0.158156D+01  0.339230D+02
      5  -0.439289D+02  0.454942D+01 -0.369572D+00  0.475053D+01 -0.103537D+01
      6   0.117461D+02 -0.114808D+01 -0.236026D+00 -0.123339D+01  0.402132D+00
               176           177           178           179           180 
      1  -0.690596D-01  0.423864D+00  0.189704D+02  0.150708D+01  0.145237D+01
      2   0.207615D+02 -0.262103D+01 -0.581341D+01 -0.488049D+01 -0.148545D+00
      3  -0.206925D+02  0.219717D+01 -0.131569D+02  0.337340D+01 -0.130382D+01
      4  -0.504641D+02  0.599835D+01 -0.874037D+01  0.150567D+02 -0.841431D+01
      5   0.538669D+01 -0.595404D+01  0.841161D+01 -0.727950D+01  0.223293D+01
      6  -0.122928D+01  0.457147D+01 -0.320185D+01  0.521554D+01 -0.217547D+01
               181           182           183           184           185 
      1  -0.207849D+01 -0.285439D+01  0.115055D+02 -0.849381D+01 -0.110331D+02
      2  -0.258360D+01  0.593823D+00 -0.325414D+01  0.361554D+01  0.495501D+01
      3   0.466210D+01  0.226057D+01 -0.825132D+01  0.487828D+01  0.607812D+01
      4  -0.431370D+01 -0.411711D+01  0.100419D+00 -0.348507D+01  0.868752D+00
      5   0.732565D+01 -0.330757D+00 -0.239034D+01  0.837131D+00  0.451378D+01
      6   0.127169D+01 -0.718201D-01 -0.132867D+01 -0.383968D+00  0.172204D+00
               186           187           188           189           190 
      1  -0.947817D-01  0.201692D+02 -0.656355D+00 -0.223140D+02 -0.532795D+02
      2   0.950055D+00 -0.903508D+01  0.130136D+01 -0.894080D+01  0.306840D+02
      3  -0.855273D+00 -0.111342D+02 -0.645008D+00  0.312548D+02  0.225955D+02
      4   0.413847D+01  0.137939D+01  0.662636D+01 -0.196214D+01 -0.168720D+02
      5  -0.106137D+01  0.530474D+00 -0.564330D+00  0.499679D+02  0.320475D+01
      6   0.608178D+01 -0.163019D+00  0.358591D+01  0.631304D+01  0.241746D+01
               191           192           193           194           195 
      1   0.144600D+02  0.242274D+01  0.752091D+01 -0.101917D+02 -0.721848D+00
      2  -0.149418D+02 -0.110918D+01 -0.796817D+01  0.930880D+01  0.156399D+01
      3   0.481853D+00 -0.131356D+01  0.447261D+00  0.882880D+00 -0.842144D+00
      4  -0.468629D+01  0.233468D+01  0.119196D+01 -0.799601D+00  0.192841D+01
      5   0.102807D+01 -0.188821D+01  0.471010D-01  0.239121D+01  0.900190D+00
      6   0.262010D+00 -0.359085D+01  0.493420D+00  0.115348D+01  0.196938D+01
               196           197           198           199           200 
      1   0.401645D+01 -0.242178D+01 -0.536396D+01  0.247160D+01  0.158614D+01
      2  -0.145764D+01  0.310932D+01  0.213511D+01 -0.190150D+01  0.158571D+01
      3  -0.255881D+01 -0.687542D+00  0.322885D+01 -0.570102D+00 -0.317186D+01
      4   0.148128D+01  0.378492D+01  0.170461D+01  0.554999D+01  0.927800D+01
      5   0.906536D+00  0.278490D+01 -0.290026D+01 -0.972834D+01 -0.342326D+01
      6  -0.220773D+01  0.342565D+01 -0.887626D+00 -0.375523D+01 -0.191462D+01
               201           202           203           204           205 
      1  -0.654192D+01 -0.618134D+00 -0.273577D+00  0.258502D+01 -0.112872D+02
      2   0.505606D+01  0.222941D+01  0.163097D+01 -0.265480D+01  0.780975D+01
      3   0.148586D+01 -0.161127D+01 -0.135740D+01  0.697823D-01  0.347741D+01
      4  -0.531021D+01  0.606217D+01  0.621927D+01 -0.509123D+01 -0.885898D+01
      5   0.132840D+02 -0.710132D+00 -0.538558D+01  0.367294D+01  0.153952D+02
      6   0.503295D+01 -0.149767D+01 -0.328324D+01  0.753633D+01  0.695704D+01
               206           207           208           209           210 
      1   0.580150D+01 -0.692610D+01  0.140342D+02  0.905949D+01  0.562357D+01
      2  -0.579930D+01 -0.811576D+01  0.167423D+01  0.797817D+01 -0.168715D+00
      3  -0.219822D-02  0.150419D+02 -0.157084D+02 -0.170377D+02 -0.545486D+01
      4  -0.141724D+02  0.162215D+02  0.264529D+02  0.333867D+02  0.850085D+01
      5   0.141273D+02 -0.485819D+02  0.809496D+01  0.592667D+01  0.900577D+01
      6   0.124995D+02 -0.276956D+02  0.515153D+01  0.458237D+01  0.615983D+01
               211           212           213           214           215 
      1   0.929054D+01 -0.184484D+01 -0.878756D+00  0.100054D+02 -0.198288D+01
      2   0.783494D+01  0.296330D+02  0.758633D+01 -0.673373D+00  0.122877D+02
      3  -0.171255D+02 -0.277882D+02 -0.670757D+01 -0.933205D+01 -0.103049D+02
      4   0.329782D+02  0.545427D+02  0.151341D+02  0.158831D+02  0.268145D+02
      5   0.654408D+01  0.135619D+02  0.105694D+02  0.111286D+02  0.135400D+02
      6   0.544465D+01  0.119783D+02  0.980396D+01  0.738419D+01  0.118650D+02
               216           217           218           219           220 
      1   0.146775D+01  0.233158D+02  0.133689D+01 -0.187453D+02  0.391593D+01
      2   0.221862D+01 -0.138877D+02 -0.561172D+00  0.108347D+02 -0.177702D+01
      3  -0.368637D+01 -0.942812D+01 -0.775717D+00  0.791064D+01 -0.213891D+01
      4   0.155009D+02  0.206393D+01  0.804266D+01  0.303171D+00  0.137336D+02
      5   0.926997D+01 -0.198346D+02  0.686039D+00  0.225872D+02  0.283285D-01
      6   0.808060D+01 -0.358469D+00  0.198457D+00  0.392146D+00 -0.937102D+00
               221           222           223           224           225 
      1   0.940334D+01  0.558544D+00 -0.484129D+02  0.188225D+01  0.278424D+02
      2  -0.472677D+01 -0.544349D+00  0.285640D+02 -0.154235D+01 -0.231928D+02
      3  -0.467656D+01 -0.141953D-01  0.198489D+02 -0.339904D+00 -0.464966D+01
      4  -0.157918D+01 -0.480482D+01  0.195739D+00 -0.113059D+02  0.769646D+00
      5  -0.458731D+01  0.136419D+01  0.418069D+02 -0.141767D+00 -0.689925D+02
      6  -0.549967D+00  0.400717D+01  0.147427D+01  0.409669D+01 -0.198571D+01
               226           227           228           229           230 
      1   0.231492D+02 -0.193739D+02  0.967708D+01 -0.430639D+02  0.286119D+02
      2  -0.109700D+02  0.910864D+01 -0.509026D+01  0.207854D+02 -0.867158D+01
      3  -0.121792D+02  0.102652D+02 -0.458682D+01  0.222785D+02 -0.199403D+02
      4  -0.200665D+02  0.226715D+02 -0.627724D+01  0.397896D+02 -0.630308D+02
      5   0.111674D+02 -0.695821D+01  0.109820D+02 -0.135131D+02  0.223767D+02
      6  -0.228084D+01  0.178751D+01 -0.880140D+00  0.400257D+01 -0.677484D+01
               231           232           233           234           235 
      1  -0.812437D+01  0.204220D+02 -0.708999D+01  0.125239D+02  0.563917D+02
      2   0.483153D+01 -0.112060D+02  0.425900D+01 -0.880157D+01 -0.272599D+02
      3   0.329284D+01 -0.921599D+01  0.283099D+01 -0.372231D+01 -0.291318D+02
      4   0.210768D+02 -0.108601D+02  0.233057D+02 -0.135278D+02  0.318612D+02
      5  -0.186872D+02  0.195131D+02 -0.146473D+02  0.124547D+02  0.235531D+02
      6   0.555272D+01 -0.214871D+01  0.577467D+01 -0.396031D+01  0.486434D+01
               236           237           238           239           240 
      1   0.266268D+02  0.188680D+02  0.555951D+02  0.281719D+02  0.128789D+02
      2  -0.119083D+02 -0.100289D+02 -0.250632D+02 -0.816571D+01 -0.650215D+01
      3  -0.147186D+02 -0.883905D+01 -0.305319D+02 -0.200062D+02 -0.637674D+01
      4   0.266673D+02  0.114413D+02  0.431811D+02  0.404389D+02  0.203179D+02
      5   0.118010D+02  0.196534D+02  0.206282D+02  0.207979D+02  0.200398D+02
      6   0.303610D+01  0.279895D+01  0.625267D+01  0.669002D+01  0.608447D+01
               241           242           243           244           245 
      1   0.361697D+02  0.112172D+02  0.199282D+02  0.508035D+00  0.320199D+01
      2  -0.193686D+02 -0.538896D+01 -0.130240D+02 -0.381930D+01 -0.142487D+01
      3  -0.168011D+02 -0.582827D+01 -0.690416D+01  0.331127D+01 -0.177712D+01
      4   0.180889D+02  0.228497D+02  0.153000D+02  0.585368D+01  0.545827D+01
      5   0.307823D+02  0.157602D+02  0.199259D+02 -0.118811D+02 -0.137349D+01
      6   0.532216D+01  0.615724D+01  0.556282D+01 -0.360637D+01 -0.384004D+00
               246           247           248           249           250 
      1  -0.685290D+01  0.388723D+01  0.348413D+00  0.209929D+01 -0.887191D+01
      2   0.524615D+01 -0.157524D+01 -0.169429D+00 -0.508272D+00  0.878126D+01
      3   0.160675D+01 -0.231199D+01 -0.178984D+00 -0.159102D+01  0.906574D-01
      4  -0.240114D+01  0.906753D+01  0.465453D+01 -0.712022D+01 -0.444671D+01
      5   0.119118D+02 -0.211388D+01 -0.717083D+01  0.845871D+01  0.171002D+02
      6   0.209800D+01 -0.166645D+01 -0.385879D+01  0.666385D+01  0.319765D+01
               251           252           253           254           255 
      1   0.233884D+01 -0.542127D+01 -0.805181D+02 -0.126889D+02  0.806932D+01
      2   0.351597D+00 -0.126893D+02  0.402470D+02  0.159610D+02 -0.525972D+01
      3  -0.269044D+01  0.181106D+02  0.402711D+02 -0.327210D+01 -0.280960D+01
      4  -0.107509D+02  0.907857D+01 -0.189779D+02  0.235326D+02  0.781783D+01
      5   0.767594D+01 -0.408869D+02  0.100209D+02  0.449538D+01  0.972220D+01
      6   0.618575D+01 -0.116126D+02  0.787090D+01  0.378419D+01  0.399300D+01
               256           257           258           259           260 
      1   0.946585D+01  0.352397D+02  0.686261D-01  0.255032D+02  0.131961D+01
      2   0.296535D+01 -0.350337D+02  0.434326D+00 -0.898622D+01  0.417798D+01
      3  -0.124312D+02 -0.206040D+00 -0.502952D+00 -0.165170D+02 -0.549759D+01
      4   0.335933D+02 -0.132757D+02  0.115959D+02  0.201433D+02  0.190511D+02
      5   0.104948D+02  0.143751D+02  0.124952D+02  0.152660D+02  0.111548D+02
      6   0.691761D+01  0.479836D+01  0.672109D+01  0.774078D+01  0.727173D+01
               261           262           263           264           265 
      1   0.129660D+02  0.445286D+01 -0.690417D+01 -0.139298D+01 -0.458722D+01
      2   0.598667D+01  0.328753D+01 -0.324920D+01 -0.245032D+00 -0.779044D+01
      3  -0.189527D+02 -0.774039D+01  0.101534D+02  0.163801D+01  0.123777D+02
      4   0.146208D+02 -0.139440D+02  0.204448D+02  0.400950D+01  0.255446D+02
      5  -0.263450D+02 -0.476103D+01  0.534691D+01  0.365739D+01  0.637424D+01
      6  -0.845033D+01  0.328204D+01 -0.393647D+01 -0.162257D+01 -0.523004D+01
               266           267           268           269           270 
      1  -0.105578D+02 -0.308737D+01  0.619890D+00 -0.833152D-01 -0.160343D+01
      2   0.379340D+02  0.488863D+01  0.250919D+01 -0.735329D+01  0.169482D+01
      3  -0.273762D+02 -0.180126D+01 -0.312908D+01  0.743661D+01 -0.913843D-01
      4  -0.630212D+02 -0.117824D+02 -0.443757D+01  0.106224D+02 -0.339101D+01
      5  -0.139539D+02 -0.109530D+02  0.183153D+01 -0.314374D+01 -0.290812D+01
      6   0.165246D+02  0.826796D+01 -0.103701D+01  0.360053D+01  0.191600D+01
               271           272           273           274           275 
      1   0.125148D+03  0.135673D+02 -0.407226D+01 -0.198582D+01  0.694588D+01
      2  -0.582082D+02 -0.224203D+01  0.154560D+01  0.411918D+01 -0.836444D-01
      3  -0.669394D+02 -0.113253D+02  0.252666D+01 -0.213336D+01 -0.686223D+01
      4   0.483615D+02  0.206080D+02  0.145333D+00  0.129355D+02  0.652232D+01
      5   0.397763D+01  0.153350D+01  0.130706D+02 -0.799298D+00 -0.176943D+01
      6  -0.731232D+00  0.134120D+01  0.413605D+01  0.626474D-01 -0.225187D+00
               276           277           278           279           280 
      1   0.177625D+00 -0.162502D+02 -0.161571D+01  0.929618D+01 -0.449803D+00
      2  -0.356312D+00  0.673597D+01 -0.779756D+00 -0.653924D+01  0.360518D+01
      3   0.178687D+00  0.951428D+01  0.239546D+01 -0.275695D+01 -0.315538D+01
      4  -0.199877D+01 -0.797998D+01 -0.564251D+01  0.258224D+01  0.320039D+01
      5  -0.116954D+01  0.131502D+02  0.591877D+00 -0.705714D+00 -0.236715D+01
      6   0.830926D-01  0.371256D+01  0.828679D+00 -0.267114D+00 -0.936857D+00
               281           282           283           284           285 
      1   0.144690D+02 -0.128673D+01  0.116338D+02 -0.327222D+02 -0.133776D+00
      2  -0.156735D+02  0.967120D+00 -0.544052D+01  0.530213D+02 -0.102415D+01
      3   0.120452D+01  0.319610D+00 -0.619325D+01 -0.202991D+02  0.115792D+01
      4  -0.820893D+01 -0.193445D+01  0.880621D+01  0.504265D+02 -0.475306D+00
      5  -0.850507D-01 -0.283427D+01  0.133096D+01 -0.300481D+01  0.596660D+01
      6  -0.149587D+01 -0.253451D+01 -0.643455D-01  0.406275D+01  0.670112D+01
               286           287           288           289           290 
      1  -0.526549D+01  0.191595D+01 -0.578196D+01  0.523977D+01  0.104774D+01
      2   0.173076D+01 -0.553630D+01  0.450692D+01 -0.552726D+01 -0.193542D+01
      3   0.353472D+01  0.362035D+01  0.127504D+01  0.287497D+00  0.887682D+00
      4  -0.448610D+01 -0.889407D+01  0.341609D+01 -0.471491D+00 -0.292401D+01
      5  -0.158501D+00  0.469267D+01  0.241173D+00  0.364539D+01 -0.124967D+01
      6  -0.721755D+00  0.628786D+01 -0.653217D+00  0.324612D+00 -0.147692D+01
               291           292           293           294           295 
      1   0.587642D+01 -0.544322D+01 -0.589941D+01 -0.639998D+00  0.112140D+02
      2  -0.234378D+01  0.197720D+01  0.306139D+01  0.308846D+01 -0.672921D+01
      3  -0.353264D+01  0.346602D+01  0.283802D+01 -0.244846D+01 -0.448476D+01
      4   0.248943D+00 -0.369848D+01 -0.298696D+01  0.238120D+01  0.639010D+01
      5   0.600938D+00 -0.255988D+01  0.218411D+01 -0.530595D+01  0.102581D+02
      6  -0.113985D+01 -0.898918D+00  0.414837D-02  0.144792D+01  0.235151D+01
               296           297 
      1  -0.125545D+01 -0.117321D+02
      2   0.352447D+01 -0.130051D+02
      3  -0.226903D+01  0.247372D+02
      4   0.100677D+02  0.938226D+00
      5   0.197006D+01  0.441327D+02
      6   0.501861D+01  0.176701D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.705798D+00      0.179396D+01      0.598400D+01
   x          0.430043D+00      0.109306D+01      0.364606D+01
   y         -0.159800D+00     -0.406172D+00     -0.135484D+01
   z          0.536356D+00      0.136328D+01      0.454741D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159673D+03      0.236611D+02      0.263265D+02
   aniso      0.740059D+02      0.109665D+02      0.122019D+02
   xx         0.207844D+03      0.307992D+02      0.342688D+02
   yx        -0.140721D+01     -0.208527D+00     -0.232018D+00
   yy         0.130367D+03      0.193184D+02      0.214947D+02
   zx         0.209508D+01      0.310458D+00      0.345431D+00
   zy        -0.718914D+01     -0.106532D+01     -0.118533D+01
   zz         0.140807D+03      0.208655D+02      0.232160D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.166612D+03      0.246893D+02      0.274706D+02
   aniso      0.769179D+02      0.113980D+02      0.126820D+02
   xx         0.216620D+03      0.320997D+02      0.357158D+02
   yx        -0.175630D+01     -0.260257D+00     -0.289575D+00
   yy         0.135948D+03      0.201454D+02      0.224148D+02
   zx         0.200050D+01      0.296444D+00      0.329838D+00
   zy        -0.757722D+01     -0.112283D+01     -0.124931D+01
   zz         0.147268D+03      0.218228D+02      0.242812D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.32021683         -0.96335226         -0.91259901
     6          2.33977432         -1.22295411          1.70887299
     6          0.07173694         -0.95437008         -2.26350032
     6         -2.23733456         -1.20512091         -1.02299306
     6         -2.23097746         -1.45983919          1.59553644
     6          0.02267332         -1.47599383          2.93744475
     6          4.76580916         -1.15621688          3.19054485
     6          5.23564299          1.36558847          4.57101207
     6          5.44216639          3.57451282          2.72452467
     6          7.59071658          1.17429369          6.23014667
     6         -4.70651516         -1.24967653         -2.49013009
     6         -4.93038723          1.17806930         -3.99714303
     8         -4.29500257          1.46233727         -6.16284614
     8         -5.89909388          3.07995506         -2.59094645
     1          4.09505832         -0.75829382         -1.91218383
     1          0.11156181         -0.73267518         -4.29708215
     1         -4.00774535         -1.65418122          2.59389264
     1         -0.02046544         -1.68915360          4.97402781
     1          6.36022973         -1.52569771          1.92737702
     1          4.75513293         -2.67594162          4.59135209
     1          3.60516653          1.70971496          5.80021212
     1          3.74018558          3.76844322          1.57967442
     1          7.04055122          3.30398605          1.44166296
     1          5.74021450          5.34941872          3.73292824
     1          9.26873737          0.81481035          5.07861312
     1          7.42535594         -0.36143208          7.59895365
     1          7.91078646          2.92552165          7.27291746
     1         -6.24672022         -1.25619038         -1.12039143
     6         -4.92017840         -3.55945481         -4.21532508
     1         -5.89098949          4.58128176         -3.64334716
     1         -6.73934865         -3.59089511         -5.18440968
     1         -4.73451622         -5.27962374         -3.09782075
     1         -3.44049678         -3.54032301         -5.64439735

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.705798D+00      0.179396D+01      0.598400D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.705798D+00      0.179396D+01      0.598400D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159673D+03      0.236611D+02      0.263265D+02
   aniso      0.740059D+02      0.109665D+02      0.122019D+02
   xx         0.180979D+03      0.268183D+02      0.298394D+02
   yx         0.666441D+01      0.987564D+00      0.109881D+01
   yy         0.128078D+03      0.189792D+02      0.211172D+02
   zx         0.316571D+02      0.469109D+01      0.521955D+01
   zy         0.167349D+00      0.247985D-01      0.275921D-01
   zz         0.169962D+03      0.251857D+02      0.280229D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.166612D+03      0.246893D+02      0.274706D+02
   aniso      0.769179D+02      0.113980D+02      0.126820D+02
   xx         0.188960D+03      0.280010D+02      0.311553D+02
   yx         0.668143D+01      0.990086D+00      0.110162D+01
   yy         0.133497D+03      0.197822D+02      0.220106D+02
   zx         0.327334D+02      0.485059D+01      0.539701D+01
   zy        -0.141412D-01     -0.209550D-02     -0.233156D-02
   zz         0.177379D+03      0.262848D+02      0.292458D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U22-31\Freq\RwB97XD\Gen\C13H18O2\PIERPA\27-Sep-2021\0\\#P
  wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA G
 uess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,0.6346,-0.2
 89354,-1.230513\C,1.477234,-0.735999,-0.213732\C,-0.739449,-0.216152,-
 1.047711\C,-1.314029,-0.589385,0.165609\C,-0.477653,-1.033716,1.186048
 \C,0.895358,-1.109311,0.997103\C,2.970726,-0.778602,-0.392123\C,3.7166
 1,0.371103,0.313667\C,3.29911,1.735765,-0.230808\C,5.226988,0.171727,0
 .198605\C,-2.81993,-0.538917,0.366414\C,-3.298609,0.879642,0.123443\O,
 -3.719796,1.31152,-0.918273\O,-3.170806,1.648102,1.229132\H,1.061897,0
 .009379,-2.180173\H,-1.369308,0.143045,-1.851768\H,-0.905706,-1.326876
 ,2.137119\H,1.525155,-1.46462,1.804458\H,3.21387,-0.75095,-1.458443\H,
 3.35489,-1.727657,-0.007445\H,3.446407,0.332999,1.374915\H,2.22736,1.9
 01968,-0.119193\H,3.541664,1.81678,-1.29447\H,3.82232,2.539192,0.29126
 3\H,5.541448,0.194608,-0.84858\H,5.535582,-0.788131,0.618372\H,5.76949
 2,0.959785,0.724559\H,-3.021671,-0.770261,1.413061\C,-3.561205,-1.5277
 62,-0.535197\H,-3.444471,2.545855,0.983186\H,-4.634564,-1.503266,-0.34
 2117\H,-3.194719,-2.537711,-0.351766\H,-3.403343,-1.285337,-1.584678\\
 Version=ES64L-G16RevA.03\State=1-A\HF=-657.0243642\RMSD=2.560e-09\RMSF
 =3.648e-06\ZeroPoint=0.2841412\Thermal=0.2998304\Dipole=0.4300431,-0.1
 598002,0.5363558\DipoleDeriv=-0.1403361,-0.0107462,-0.0483694,0.016292
 4,-0.0902,-0.0699909,-0.0798891,-0.0520712,0.0663827,0.3449519,0.05106
 63,-0.0186241,0.0023672,-0.0852936,-0.0165524,-0.03983,-0.0185592,-0.0
 762985,-0.0841383,-0.0088268,0.0341279,-0.0188388,-0.090888,-0.0422746
 ,0.0582161,-0.0431208,-0.0099287,0.3032713,-0.0982065,0.0058671,0.0186
 181,-0.1403773,-0.0030862,-0.0438412,0.011636,-0.0756175,-0.0723587,0.
 0166486,-0.0473511,0.0175594,-0.0941396,-0.0559843,-0.0140811,-0.07492
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 OF ALL THE WONDERS OF THE UNIVERSE, THE GREATEST IS MAN.

                                    -- ARISTOTLE
 Job cpu time:       0 days  8 hours 42 minutes 23.8 seconds.
 Elapsed time:       0 days  1 hours  5 minutes 28.1 seconds.
 File lengths (MBytes):  RWF=    604 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 27 10:45:42 2021.
